N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

C15H31NO2S — CID 106727245

IUPACN-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCS(=O)(=O)CCC)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-13-7-8-15(16-3)14(12-13)9-11-19(17,18)10-5-2/h13-16H,4-12H2,1-3H3
InChIKeyWOKUSWSXWUUIRX-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.01
Rot. Bonds8

About N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106727245) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
PubChem CID106727245
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CCS(=O)(=O)CCC)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-13-7-8-15(16-3)14(12-13)9-11-19(17,18)10-5-2/h13-16H,4-12H2,1-3H3
InChIKeyWOKUSWSXWUUIRX-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106732386
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
CID 103034583
1-bromo-3-(2-propylsulfonylethyl)cyclopentane
CID 106732521
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
CID 107758549

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (CID 106727245) is N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is CCCC1CCC(NC)C(CCS(=O)(=O)CCC)C1.
What is the InChIKey of N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is WOKUSWSXWUUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-6-13-7-8-15(16-3)14(12-13)9-11-19(17,18)10-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).