7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile

C10H14N2 — CID 137427537

IUPAC7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile
SMILESCC1(C)C=C(C#N)C(N)=CCC1
InChIInChI=1S/C10H14N2/c1-10(2)5-3-4-9(12)8(6-10)7-11/h4,6H,3,5,12H2,1-2H3
InChIKeyMOYRANLBQNABFB-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.10
Rot. Bonds

About 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile

7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile (PubChem CID 137427537) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile.

Molecular Properties

Compound Name7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile
PubChem CID137427537
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile
SMILESCC1(C)C=C(C#N)C(N)=CCC1
InChIInChI=1S/C10H14N2/c1-10(2)5-3-4-9(12)8(6-10)7-11/h4,6H,3,5,12H2,1-2H3
InChIKeyMOYRANLBQNABFB-UHFFFAOYSA-N
XLogP2.10
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-3,3-dimethylcyclohepta-1,6-diene-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 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile?
The IUPAC name of 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile (CID 137427537) is 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile.
What is the SMILES notation for 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile?
The canonical SMILES for 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile is CC1(C)C=C(C#N)C(N)=CCC1.
What is the InChIKey of 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile?
The InChIKey is MOYRANLBQNABFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2)5-3-4-9(12)8(6-10)7-11/h4,6H,3,5,12H2,1-2H3.
What are the key properties of 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile?
7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile is sourced from PubChem (CID 137427537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).