1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine

C16H33NS — CID 65144446

IUPAC1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(CSC1CCCCC1)CC(C)CC
InChIInChI=1S/C16H33NS/c1-4-11-17-15(12-14(3)5-2)13-18-16-9-7-6-8-10-16/h14-17H,4-13H2,1-3H3
InChIKeyPVKORHYQDPBSSA-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.86
Rot. Bonds9

About 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine

1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine (PubChem CID 65144446) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
PubChem CID65144446
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(CSC1CCCCC1)CC(C)CC
InChIInChI=1S/C16H33NS/c1-4-11-17-15(12-14(3)5-2)13-18-16-9-7-6-8-10-16/h14-17H,4-13H2,1-3H3
InChIKeyPVKORHYQDPBSSA-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine
CID 65140829
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-(2-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088
1-cyclopentylsulfanyl-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 65140219
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79185206
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine (CID 65144446) is 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine is CCCNC(CSC1CCCCC1)CC(C)CC.
What is the InChIKey of 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine?
The InChIKey is PVKORHYQDPBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-4-11-17-15(12-14(3)5-2)13-18-16-9-7-6-8-10-16/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine?
1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine has a molecular weight of 271.51 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 65144446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).