N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine

C14H29NS — CID 65135416

IUPACN-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCNC(CSCC(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H29NS/c1-11(2)9-16-10-14(15-4)13-7-5-12(3)6-8-13/h11-15H,5-10H2,1-4H3
InChIKeyPDDSUWIYQRBDBG-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.79
Rot. Bonds6

About N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine

N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65135416) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65135416
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCNC(CSCC(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H29NS/c1-11(2)9-16-10-14(15-4)13-7-5-12(3)6-8-13/h11-15H,5-10H2,1-4H3
InChIKeyPDDSUWIYQRBDBG-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
CID 65128562
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
[1-cycloheptyl-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226774
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
CID 64612798
[1-(4-methylcyclohexyl)-2-propylsulfanylethyl]hydrazine
CID 105225779
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65135416) is N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine is CNC(CSCC(C)C)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is PDDSUWIYQRBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-11(2)9-16-10-14(15-4)13-7-5-12(3)6-8-13/h11-15H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 243.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65135416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).