2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine

C15H29NS — CID 64634808

IUPAC2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(SC2CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-11(2)12-8-9-14(16)15(10-12)17-13-6-4-3-5-7-13/h11-15H,3-10,16H2,1-2H3
InChIKeyKDZKFYJNXCPRPJ-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.20
Rot. Bonds3

About 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine

2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64634808) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64634808
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(SC2CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-11(2)12-8-9-14(16)15(10-12)17-13-6-4-3-5-7-13/h11-15H,3-10,16H2,1-2H3
InChIKeyKDZKFYJNXCPRPJ-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-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-cyclopentylsulfanyl-4-methylcyclohexan-1-amine
CID 64626744
2-cyclohexylsulfanylcycloheptan-1-amine
CID 64632242
2-cyclohexylsulfanylcyclopentan-1-amine
CID 64632243
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-cyclopentylsulfanylcyclopentan-1-amine
CID 64627939
2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64619280
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64622055
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
CID 64634475
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide
CID 114235017
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
CID 64625829

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine (CID 64634808) is 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(SC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KDZKFYJNXCPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-11(2)12-8-9-14(16)15(10-12)17-13-6-4-3-5-7-13/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64634808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).