[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine

C15H31NO2S — CID 107767418

IUPAC[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)CCC(C)C)C1
InChIInChI=1S/C15H31NO2S/c1-4-5-13-6-7-14(11-16)15(10-13)19(17,18)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyVDCOSBYEQGAZOP-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.99
Rot. Bonds7

About [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine

[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine (PubChem CID 107767418) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
PubChem CID107767418
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)CCC(C)C)C1
InChIInChI=1S/C15H31NO2S/c1-4-5-13-6-7-14(11-16)15(10-13)19(17,18)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyVDCOSBYEQGAZOP-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767179
[4-ethyl-2-(2-methylsulfonylethylsulfonyl)cyclohexyl]methanamine
CID 64698812
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
CID 107767159
[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine
CID 64696403
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
[4-ethyl-2-(3-methoxypropylsulfonyl)cyclohexyl]methanamine
CID 64696411
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
CID 64698832

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine (CID 107767418) is [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)(=O)CCC(C)C)C1.
What is the InChIKey of [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
The InChIKey is VDCOSBYEQGAZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-5-13-6-7-14(11-16)15(10-13)19(17,18)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3.
What are the key properties of [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine?
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine has a molecular weight of 289.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 107767418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).