N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine

C12H25NS — CID 103779067

IUPACN-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyYUXHPBLFRFUUKH-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine

N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103779067) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID103779067
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyYUXHPBLFRFUUKH-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine 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

2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162
2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol
CID 115895188
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine (CID 103779067) is N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is YUXHPBLFRFUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine?
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103779067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).