(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine

C19H29NS — CID 63404643

IUPAC(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine
SMILESNCC1CCC(c2ccccc2)CC1SC1CCCCC1
InChIInChI=1S/C19H29NS/c20-14-17-12-11-16(15-7-3-1-4-8-15)13-19(17)21-18-9-5-2-6-10-18/h1,3-4,7-8,16-19H,2,5-6,9-14,20H2
InChIKeyJCJFNEOSTVKZTC-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.96
Rot. Bonds4

About (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine

(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine (PubChem CID 63404643) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine
PubChem CID63404643
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine
SMILESNCC1CCC(c2ccccc2)CC1SC1CCCCC1
InChIInChI=1S/C19H29NS/c20-14-17-12-11-16(15-7-3-1-4-8-15)13-19(17)21-18-9-5-2-6-10-18/h1,3-4,7-8,16-19H,2,5-6,9-14,20H2
InChIKeyJCJFNEOSTVKZTC-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclohexyl)sulfanyl-4-phenylcyclohexan-1-amine
CID 64632216
(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine
CID 43530007
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine
CID 43530673
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
(2-cyclopentylsulfanyl-4-propylcyclohexyl)methanamine
CID 63405084
[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
CID 43428907
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293647
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine
CID 60974548
1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
CID 62334960

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine?
The IUPAC name of (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine (CID 63404643) is (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine.
What is the SMILES notation for (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine?
The canonical SMILES for (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine is NCC1CCC(c2ccccc2)CC1SC1CCCCC1.
What is the InChIKey of (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine?
The InChIKey is JCJFNEOSTVKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c20-14-17-12-11-16(15-7-3-1-4-8-15)13-19(17)21-18-9-5-2-6-10-18/h1,3-4,7-8,16-19H,2,5-6,9-14,20H2.
What are the key properties of (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine?
(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine has a molecular weight of 303.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine is sourced from PubChem (CID 63404643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).