N-(2-cyclohexylsulfanylpropyl)pentan-2-amine

C14H29NS — CID 62579529

IUPACN-(2-cyclohexylsulfanylpropyl)pentan-2-amine
SMILESCCCC(C)NCC(C)SC1CCCCC1
InChIInChI=1S/C14H29NS/c1-4-8-12(2)15-11-13(3)16-14-9-6-5-7-10-14/h12-15H,4-11H2,1-3H3
InChIKeyLWAVIAGPZAUYBC-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.22
Rot. Bonds7

About N-(2-cyclohexylsulfanylpropyl)pentan-2-amine

N-(2-cyclohexylsulfanylpropyl)pentan-2-amine (PubChem CID 62579529) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylpropyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylpropyl)pentan-2-amine
PubChem CID62579529
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-(2-cyclohexylsulfanylpropyl)pentan-2-amine
SMILESCCCC(C)NCC(C)SC1CCCCC1
InChIInChI=1S/C14H29NS/c1-4-8-12(2)15-11-13(3)16-14-9-6-5-7-10-14/h12-15H,4-11H2,1-3H3
InChIKeyLWAVIAGPZAUYBC-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclohexylsulfanylpropyl)pentan-2-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

N-(2-cyclopentylsulfanylpropyl)butan-2-amine
CID 63115777
N-(2-cyclohexylsulfanylpropyl)pentan-1-amine
CID 62582254
N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
CID 62582253
N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
CID 107757268
N-pentan-2-ylcyclooctanamine
CID 43079432
4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
CID 115895600
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylpropyl)pentan-2-amine?
The IUPAC name of N-(2-cyclohexylsulfanylpropyl)pentan-2-amine (CID 62579529) is N-(2-cyclohexylsulfanylpropyl)pentan-2-amine.
What is the SMILES notation for N-(2-cyclohexylsulfanylpropyl)pentan-2-amine?
The canonical SMILES for N-(2-cyclohexylsulfanylpropyl)pentan-2-amine is CCCC(C)NCC(C)SC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylpropyl)pentan-2-amine?
The InChIKey is LWAVIAGPZAUYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-8-12(2)15-11-13(3)16-14-9-6-5-7-10-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2-cyclohexylsulfanylpropyl)pentan-2-amine?
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine has a molecular weight of 243.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylpropyl)pentan-2-amine is sourced from PubChem (CID 62579529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).