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Chemical ID: 5169671
Chemical ID:
5169671
Name [?]:
N-(3-methylcyclopentyl)-4,5-dihydrooxazol-2-amine
SMILES [?]:
CC1CCC(C1)NC2=NCCO2
InChi [?]:
InChI=1/C9H16N2O/c1-7-2-3-8(6-7)11-9-10-4-5-12-9/h7-8H,2-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,6,2,5,8,9,7,12/rA:12cCCCCCCNCNCCO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;s10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.34634 |
Area: | 341.11 |
Solvation: | -2.18141 |
Coulombic: | -26.9898 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 168.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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