2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine

C19H29NS — CID 64626186

IUPAC2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine
SMILESCNC1CCC(c2ccccc2)CC1SCC1CCCC1
InChIInChI=1S/C19H29NS/c1-20-18-12-11-17(16-9-3-2-4-10-16)13-19(18)21-14-15-7-5-6-8-15/h2-4,9-10,15,17-20H,5-8,11-14H2,1H3
InChIKeyVVAACFOPQPPOIJ-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.83
Rot. Bonds5

About 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine

2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine (PubChem CID 64626186) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine
PubChem CID64626186
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine
SMILESCNC1CCC(c2ccccc2)CC1SCC1CCCC1
InChIInChI=1S/C19H29NS/c1-20-18-12-11-17(16-9-3-2-4-10-16)13-19(18)21-14-15-7-5-6-8-15/h2-4,9-10,15,17-20H,5-8,11-14H2,1H3
InChIKeyVVAACFOPQPPOIJ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine (CID 64626186) is 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine is CNC1CCC(c2ccccc2)CC1SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine?
The InChIKey is VVAACFOPQPPOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-20-18-12-11-17(16-9-3-2-4-10-16)13-19(18)21-14-15-7-5-6-8-15/h2-4,9-10,15,17-20H,5-8,11-14H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine?
2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 64626186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).