3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine

C15H29NS — CID 64716109

IUPAC3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(SC2CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-11-16-13-7-6-10-15(12-13)17-14-8-4-3-5-9-14/h13-16H,2-12H2,1H3
InChIKeyQFGVFGSEBHMOCL-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.36
Rot. Bonds5

About 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine

3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64716109) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64716109
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(SC2CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-11-16-13-7-6-10-15(12-13)17-14-8-4-3-5-9-14/h13-16H,2-12H2,1H3
InChIKeyQFGVFGSEBHMOCL-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64718239
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
CID 79332992
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
3-(2-methylsulfonylethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64717984
2-methyl-3-[3-(propylamino)cyclohexyl]sulfanylpropan-1-ol
CID 66104134
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine (CID 64716109) is 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(SC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is QFGVFGSEBHMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-2-11-16-13-7-6-10-15(12-13)17-14-8-4-3-5-9-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine?
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64716109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).