2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine

C13H27NOS — CID 107760118

IUPAC2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine
SMILESCCC(C)CS(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C13H27NOS/c1-5-10(2)9-16(15)11-7-6-8-13(3,4)12(11)14/h10-12H,5-9,14H2,1-4H3
InChIKeyFULNXPWXBSOUJS-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine

2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine (PubChem CID 107760118) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine
PubChem CID107760118
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine
SMILESCCC(C)CS(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C13H27NOS/c1-5-10(2)9-16(15)11-7-6-8-13(3,4)12(11)14/h10-12H,5-9,14H2,1-4H3
InChIKeyFULNXPWXBSOUJS-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-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

2,2-dimethyl-6-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 79846886
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
6-tert-butylsulfinyl-2,2-dimethylcyclohexan-1-amine
CID 79847235
N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
CID 107760075
2-(2-methylbutylsulfinyl)cycloheptane-1-carbonitrile
CID 107767191
2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107759857
1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
3-(2-amino-3,3-dimethylcyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 79852757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine (CID 107760118) is 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine is CCC(C)CS(=O)C1CCCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine?
The InChIKey is FULNXPWXBSOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-10(2)9-16(15)11-7-6-8-13(3,4)12(11)14/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine?
2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 107760118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).