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Chemical ID: 3963700
Chemical ID:
3963700
Name [?]:
N,N-dimethyl-3-piperazin-1-yl-propan-1-amine
SMILES [?]:
CN(C)CCCN1CCNCC1
InChi [?]:
InChI=1/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,11,4,6,8,12,10,2,7/E:(1,2)(4,5)(8,9)/rA:12nCNCCCCNCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H21N3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3713 |
Area: | 362.058 |
Solvation: | -1.68015 |
Coulombic: | -18.0376 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.32 |
LogP (Chemaxon): | -0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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