2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile

C16H28N2S — CID 64711751

IUPAC2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
SMILESCC1CCCC(SC(C)CC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H28N2S/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3
InChIKeyYWNOJEJFUZXSCT-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.11
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile

2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile (PubChem CID 64711751) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
PubChem CID64711751
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
SMILESCC1CCCC(SC(C)CC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H28N2S/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3
InChIKeyYWNOJEJFUZXSCT-UHFFFAOYSA-N
XLogP4.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile 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

2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 64711558
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
CID 64725366
2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)-2-methylpentanenitrile
CID 66127896
2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
CID 55196497
2-[4-cyano-4-(cyclopropylamino)pentan-2-yl]sulfanyl-N-ethylacetamide
CID 114234312
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810
2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
CID 64709200
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
methyl 3-(3-methylcyclohexyl)sulfanylbutanoate
CID 62722596
2-(cyclopropylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137293
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile (CID 64711751) is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile is CC1CCCC(SC(C)CC(C)(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile?
The InChIKey is YWNOJEJFUZXSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile?
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile has a molecular weight of 280.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile is sourced from PubChem (CID 64711751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).