N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine

C13H27NS — CID 65128562

IUPACN-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1CCC(C)CC1
InChIInChI=1S/C13H27NS/c1-4-9-15-10-13(14-3)12-7-5-11(2)6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyKCTGTFYOSQXNQL-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds6

About N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine

N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine (PubChem CID 65128562) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
PubChem CID65128562
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1CCC(C)CC1
InChIInChI=1S/C13H27NS/c1-4-9-15-10-13(14-3)12-7-5-11(2)6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyKCTGTFYOSQXNQL-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
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

[1-(4-methylcyclohexyl)-2-propylsulfanylethyl]hydrazine
CID 105225779
N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135416
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
1-cyclohexyl-N-methyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 104754975
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine (CID 65128562) is N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine is CCCSCC(NC)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine?
The InChIKey is KCTGTFYOSQXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-9-15-10-13(14-3)12-7-5-11(2)6-8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine?
N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 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-propylsulfanylethanamine is sourced from PubChem (CID 65128562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).