5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine

C18H29NS — CID 60664609

IUPAC5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCSc2ccccc2)C1
InChIInChI=1S/C18H29NS/c1-14(2)17-10-9-15(3)13-18(17)19-11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3
InChIKeyXWHMXPDSFXFIOP-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.83
Rot. Bonds6

About 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 60664609) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID60664609
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCSc2ccccc2)C1
InChIInChI=1S/C18H29NS/c1-14(2)17-10-9-15(3)13-18(17)19-11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3
InChIKeyXWHMXPDSFXFIOP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-(2-phenylsulfanylethyl)phosphoryl]benzene
CID 11582440
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
2,4,4-trimethyl-N-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 81320792
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine (CID 60664609) is 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCCSc2ccccc2)C1.
What is the InChIKey of 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is XWHMXPDSFXFIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-14(2)17-10-9-15(3)13-18(17)19-11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3.
What are the key properties of 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 60664609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).