1-Aminocyclooctanecarbonitrile

C9H16N2 — CID 16791966

IUPAC1-aminocyclooctane-1-carbonitrile
SMILESC1CCCC(CCC1)(C#N)N
InChIInChI=1S/C9H16N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-7,11H2
InChIKeyOIDFXMAGNWNQPL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.80
Rot. Bonds

About 1-Aminocyclooctanecarbonitrile

1-Aminocyclooctanecarbonitrile (PubChem CID 16791966) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-aminocyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-Aminocyclooctanecarbonitrile
PubChem CID16791966
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-aminocyclooctane-1-carbonitrile
SMILESC1CCCC(CCC1)(C#N)N
InChIInChI=1S/C9H16N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-7,11H2
InChIKeyOIDFXMAGNWNQPL-UHFFFAOYSA-N
XLogP1.80
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity158

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Aminocycloheptane-1-carbonitrile
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2-Amino-2-methyloctanenitrile
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2-Amino-2-ethylheptanenitrile
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2-Amino-2-methyldecanenitrile
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3-Amino-3-decyltridecanenitrile
CID 22227625
2-Amino-2-methylnonanenitrile
CID 43130164
4-Amino-4-(7-aminoheptyl)heptanedinitrile
CID 54507344
1-Amino-4-ethylcycloheptane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-Aminocyclooctanecarbonitrile?
The IUPAC name of 1-Aminocyclooctanecarbonitrile (CID 16791966) is 1-aminocyclooctane-1-carbonitrile.
What is the SMILES notation for 1-Aminocyclooctanecarbonitrile?
The canonical SMILES for 1-Aminocyclooctanecarbonitrile is C1CCCC(CCC1)(C#N)N.
What is the InChIKey of 1-Aminocyclooctanecarbonitrile?
The InChIKey is OIDFXMAGNWNQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-7,11H2.
What are the key properties of 1-Aminocyclooctanecarbonitrile?
1-Aminocyclooctanecarbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Aminocyclooctanecarbonitrile is sourced from PubChem (CID 16791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).