N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine

C18H29NS — CID 64634179

IUPACN,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1cccc(C)c1
InChIInChI=1S/C18H29NS/c1-4-15-9-10-17(19-5-2)18(12-15)20-13-16-8-6-7-14(3)11-16/h6-8,11,15,17-19H,4-5,9-10,12-13H2,1-3H3
InChIKeyPETYVRMMUOOHCR-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.79
Rot. Bonds6

About N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine

N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine (PubChem CID 64634179) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
PubChem CID64634179
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1cccc(C)c1
InChIInChI=1S/C18H29NS/c1-4-15-9-10-17(19-5-2)18(12-15)20-13-16-8-6-7-14(3)11-16/h6-8,11,15,17-19H,4-5,9-10,12-13H2,1-3H3
InChIKeyPETYVRMMUOOHCR-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64735986
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]-N,3-dimethylaniline
CID 63494608
2-benzylsulfanyl-N-ethylcyclohexan-1-amine
CID 64621977
2-benzylsulfanyl-N-ethylcyclooctan-1-amine
CID 64620030
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine (CID 64634179) is N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1SCc1cccc(C)c1.
What is the InChIKey of N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The InChIKey is PETYVRMMUOOHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-15-9-10-17(19-5-2)18(12-15)20-13-16-8-6-7-14(3)11-16/h6-8,11,15,17-19H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64634179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).