2-cyclohexylsulfanyl-2-propylpentan-1-amine

C14H29NS — CID 65139417

IUPAC2-cyclohexylsulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)SC1CCCCC1
InChIInChI=1S/C14H29NS/c1-3-10-14(12-15,11-4-2)16-13-8-6-5-7-9-13/h13H,3-12,15H2,1-2H3
InChIKeyCWUGUXKCECACKH-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.35
Rot. Bonds7

About 2-cyclohexylsulfanyl-2-propylpentan-1-amine

2-cyclohexylsulfanyl-2-propylpentan-1-amine (PubChem CID 65139417) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-2-propylpentan-1-amine
PubChem CID65139417
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2-cyclohexylsulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)SC1CCCCC1
InChIInChI=1S/C14H29NS/c1-3-10-14(12-15,11-4-2)16-13-8-6-5-7-9-13/h13H,3-12,15H2,1-2H3
InChIKeyCWUGUXKCECACKH-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butylsulfanylcycloundecane
CID 123259854
2-propan-2-ylsulfanyl-2-propylpentan-1-amine
CID 65134616
tert-butylsulfanylcyclopentane
CID 545340
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-cyclohexyl-2-(methoxymethyl)pentan-1-amine
CID 139927573
ethylsulfanylcycloheptane
CID 67666697
cyclohexylsulfanylmethanamine
CID 18729999
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
1-cyclohexylbutane-1,1-dithiol
CID 175490889
butylsulfanylcycloheptane
CID 14970942

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-2-propylpentan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-2-propylpentan-1-amine (CID 65139417) is 2-cyclohexylsulfanyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-2-propylpentan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-2-propylpentan-1-amine is CCCC(CN)(CCC)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-2-propylpentan-1-amine?
The InChIKey is CWUGUXKCECACKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-3-10-14(12-15,11-4-2)16-13-8-6-5-7-9-13/h13H,3-12,15H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-2-propylpentan-1-amine?
2-cyclohexylsulfanyl-2-propylpentan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-2-propylpentan-1-amine is sourced from PubChem (CID 65139417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).