2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile

C17H31N3 — CID 62332365

IUPAC2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
SMILESCC1CCN(CCCCC(C)(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C17H31N3/c1-14-8-11-20(15(2)12-14)10-5-4-9-17(3,13-18)19-16-6-7-16/h14-16,19H,4-12H2,1-3H3
InChIKeyBTGAICZGSGFIEX-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds7

About 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile

2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile (PubChem CID 62332365) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
PubChem CID62332365
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
SMILESCC1CCN(CCCCC(C)(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C17H31N3/c1-14-8-11-20(15(2)12-14)10-5-4-9-17(3,13-18)19-16-6-7-16/h14-16,19H,4-12H2,1-3H3
InChIKeyBTGAICZGSGFIEX-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
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-(2,4-dimethylpiperidin-1-yl)-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

Related Compounds

5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 62331839
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
2-(cyclopropylamino)-2-methyl-5-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pentanenitrile
CID 103198049
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
CID 63028154
2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79917003
1-(3-chloropropyl)-2,4-dimethylpiperidine
CID 62332524
2-amino-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64787405

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile?
The IUPAC name of 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile (CID 62332365) is 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile is CC1CCN(CCCCC(C)(C#N)NC2CC2)C(C)C1.
What is the InChIKey of 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile?
The InChIKey is BTGAICZGSGFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14-8-11-20(15(2)12-14)10-5-4-9-17(3,13-18)19-16-6-7-16/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile?
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile is sourced from PubChem (CID 62332365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).