1-amino-4-ethylcycloheptane-1-carbonitrile

C10H18N2 — CID 65087937

IUPAC1-amino-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(N)(C#N)CC1
InChIInChI=1S/C10H18N2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9H,2-7,12H2,1H3
InChIKeyLTSRODOKEVOSSK-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.20
Rot. Bonds1

About 1-amino-4-ethylcycloheptane-1-carbonitrile

1-amino-4-ethylcycloheptane-1-carbonitrile (PubChem CID 65087937) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-amino-4-ethylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-ethylcycloheptane-1-carbonitrile
PubChem CID65087937
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-amino-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(N)(C#N)CC1
InChIInChI=1S/C10H18N2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9H,2-7,12H2,1H3
InChIKeyLTSRODOKEVOSSK-UHFFFAOYSA-N
XLogP2.20
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-4-ethylcycloheptane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethylcycloheptane-1-carbonitrile?
The IUPAC name of 1-amino-4-ethylcycloheptane-1-carbonitrile (CID 65087937) is 1-amino-4-ethylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-ethylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-amino-4-ethylcycloheptane-1-carbonitrile is CCC1CCCC(N)(C#N)CC1.
What is the InChIKey of 1-amino-4-ethylcycloheptane-1-carbonitrile?
The InChIKey is LTSRODOKEVOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9H,2-7,12H2,1H3.
What are the key properties of 1-amino-4-ethylcycloheptane-1-carbonitrile?
1-amino-4-ethylcycloheptane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65087937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).