1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile

C10H17N — CID 118667710

IUPAC1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)CCC1(C#N)CC1
InChIInChI=1S/C10H17N/c1-9(2,3)4-5-10(8-11)6-7-10/h4-7H2,1-3H3
InChIKeyONUGJHMRHWVVRZ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.12
Rot. Bonds2

About 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile

1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile (PubChem CID 118667710) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
PubChem CID118667710
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)CCC1(C#N)CC1
InChIInChI=1S/C10H17N/c1-9(2,3)4-5-10(8-11)6-7-10/h4-7H2,1-3H3
InChIKeyONUGJHMRHWVVRZ-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylbutyl)cyclopropane-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-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile (CID 118667710) is 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile is CC(C)(C)CCC1(C#N)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile?
The InChIKey is ONUGJHMRHWVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2,3)4-5-10(8-11)6-7-10/h4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile?
1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile has a molecular weight of 151.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 118667710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).