1-(propan-2-ylamino)cycloheptane-1-carbonitrile

C11H20N2 — CID 43151542

IUPAC1-(propan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2/c1-10(2)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3
InChIKeyYZNLXLPFHGAEIE-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.60
Rot. Bonds2

About 1-(propan-2-ylamino)cycloheptane-1-carbonitrile

1-(propan-2-ylamino)cycloheptane-1-carbonitrile (PubChem CID 43151542) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(propan-2-ylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)cycloheptane-1-carbonitrile
PubChem CID43151542
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(propan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2/c1-10(2)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3
InChIKeyYZNLXLPFHGAEIE-UHFFFAOYSA-N
XLogP2.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(propan-2-ylamino)cycloheptane-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-(propan-2-ylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)cycloheptane-1-carbonitrile (CID 43151542) is 1-(propan-2-ylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)cycloheptane-1-carbonitrile is CC(C)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-(propan-2-ylamino)cycloheptane-1-carbonitrile?
The InChIKey is YZNLXLPFHGAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)cycloheptane-1-carbonitrile?
1-(propan-2-ylamino)cycloheptane-1-carbonitrile has a molecular weight of 180.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 43151542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).