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Chemical ID: 4557333
Chemical ID:
4557333
Name [?]:
[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILES [?]:
CN1CCCC1CN2CCCC2CO
InChi [?]:
InChI=1/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14/h10-11,14H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,10,5,11,3,9,7,13,6,12,2,8,14/rA:14cCNCCCCCNCCCCCO/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s8s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.62225 |
Area: | 363.389 |
Solvation: | -2.46248 |
Coulombic: | -26.5562 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.29 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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