N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine

C19H31NS — CID 66087010

IUPACN-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(C)c1)C1CCCC(C)C1
InChIInChI=1S/C19H31NS/c1-4-11-20-19(17-9-5-7-15(2)12-17)14-21-18-10-6-8-16(3)13-18/h6,8,10,13,15,17,19-20H,4-5,7,9,11-12,14H2,1-3H3
InChIKeyGYJFBGRCTWTIOX-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.28
Rot. Bonds7

About N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine

N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine (PubChem CID 66087010) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
PubChem CID66087010
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(C)c1)C1CCCC(C)C1
InChIInChI=1S/C19H31NS/c1-4-11-20-19(17-9-5-7-15(2)12-17)14-21-18-10-6-8-16(3)13-18/h6,8,10,13,15,17,19-20H,4-5,7,9,11-12,14H2,1-3H3
InChIKeyGYJFBGRCTWTIOX-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 83175112
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine (CID 66087010) is N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1cccc(C)c1)C1CCCC(C)C1.
What is the InChIKey of N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The InChIKey is GYJFBGRCTWTIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-11-20-19(17-9-5-7-15(2)12-17)14-21-18-10-6-8-16(3)13-18/h6,8,10,13,15,17,19-20H,4-5,7,9,11-12,14H2,1-3H3.
What are the key properties of N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 66087010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).