1-aminocycloheptane-1-carbonitrile

C8H14N2 — CID 14221139

IUPAC1-aminocycloheptane-1-carbonitrile
SMILESN#CC1(N)CCCCCC1
InChIInChI=1S/C8H14N2/c9-7-8(10)5-3-1-2-4-6-8/h1-6,10H2
InChIKeyDLMLXRYNXPKPII-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds

About 1-aminocycloheptane-1-carbonitrile

1-aminocycloheptane-1-carbonitrile (PubChem CID 14221139) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-aminocycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-aminocycloheptane-1-carbonitrile
PubChem CID14221139
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-aminocycloheptane-1-carbonitrile
SMILESN#CC1(N)CCCCCC1
InChIInChI=1S/C8H14N2/c9-7-8(10)5-3-1-2-4-6-8/h1-6,10H2
InChIKeyDLMLXRYNXPKPII-UHFFFAOYSA-N
XLogP1.56
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminocycloheptane-1-carbonitrile?
The IUPAC name of 1-aminocycloheptane-1-carbonitrile (CID 14221139) is 1-aminocycloheptane-1-carbonitrile.
What is the SMILES notation for 1-aminocycloheptane-1-carbonitrile?
The canonical SMILES for 1-aminocycloheptane-1-carbonitrile is N#CC1(N)CCCCCC1.
What is the InChIKey of 1-aminocycloheptane-1-carbonitrile?
The InChIKey is DLMLXRYNXPKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-7-8(10)5-3-1-2-4-6-8/h1-6,10H2.
What are the key properties of 1-aminocycloheptane-1-carbonitrile?
1-aminocycloheptane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocycloheptane-1-carbonitrile is sourced from PubChem (CID 14221139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).