2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile

C16H30N2O — CID 66224958

IUPAC2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
SMILESCC(C)(C)CCOCCCCC(C)(C#N)NC1CC1
InChIInChI=1S/C16H30N2O/c1-15(2,3)10-12-19-11-6-5-9-16(4,13-17)18-14-7-8-14/h14,18H,5-12H2,1-4H3
InChIKeyYDNSQPQJSWJEPV-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.64
Rot. Bonds9

About 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile

2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile (PubChem CID 66224958) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
PubChem CID66224958
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
SMILESCC(C)(C)CCOCCCCC(C)(C#N)NC1CC1
InChIInChI=1S/C16H30N2O/c1-15(2,3)10-12-19-11-6-5-9-16(4,13-17)18-14-7-8-14/h14,18H,5-12H2,1-4H3
InChIKeyYDNSQPQJSWJEPV-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile 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 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile?
The IUPAC name of 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile (CID 66224958) is 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile is CC(C)(C)CCOCCCCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile?
The InChIKey is YDNSQPQJSWJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2,3)10-12-19-11-6-5-9-16(4,13-17)18-14-7-8-14/h14,18H,5-12H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile?
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile has a molecular weight of 266.43 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile is sourced from PubChem (CID 66224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).