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

C15H31NOS — CID 107767479

IUPAC[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)CCC(C)C)C1
InChIInChI=1S/C15H31NOS/c1-4-5-13-6-7-14(11-16)15(10-13)18(17)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyDWWWJXGAYQFZBS-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.32
Rot. Bonds7

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

[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine (PubChem CID 107767479) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
PubChem CID107767479
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)CCC(C)C)C1
InChIInChI=1S/C15H31NOS/c1-4-5-13-6-7-14(11-16)15(10-13)18(17)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyDWWWJXGAYQFZBS-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
CID 64655991
(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
CID 81328241
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
2-(3-methylbutylsulfinyl)cyclopentan-1-amine
CID 107760700
2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 107760465

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine (CID 107767479) is [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)CCC(C)C)C1.
What is the InChIKey of [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine?
The InChIKey is DWWWJXGAYQFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-5-13-6-7-14(11-16)15(10-13)18(17)9-8-12(2)3/h12-15H,4-11,16H2,1-3H3.
What are the key properties of [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine?
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine has a molecular weight of 273.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 107767479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).