6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine

C16H31NS — CID 79847103

IUPAC6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(SC2CCCC2)CCCC1(C)C
InChIInChI=1S/C16H31NS/c1-4-12-17-15-14(10-7-11-16(15,2)3)18-13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyFHKAOZIEJXKWAA-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.61
Rot. Bonds5

About 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine

6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 79847103) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID79847103
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(SC2CCCC2)CCCC1(C)C
InChIInChI=1S/C16H31NS/c1-4-12-17-15-14(10-7-11-16(15,2)3)18-13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyFHKAOZIEJXKWAA-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[3,3-dimethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852758
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
5-cyclopentylsulfanyl-N,2,2-trimethylcyclopentan-1-amine
CID 79863086
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
2,2-dimethyl-N-propyl-6-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053137
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 79847103) is 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(SC2CCCC2)CCCC1(C)C.
What is the InChIKey of 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is FHKAOZIEJXKWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-4-12-17-15-14(10-7-11-16(15,2)3)18-13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79847103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).