[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine

C14H29NOS — CID 81328958

IUPAC[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)CC(C)C)C1
InChIInChI=1S/C14H29NOS/c1-4-5-12-6-7-13(9-15)14(8-12)17(16)10-11(2)3/h11-14H,4-10,15H2,1-3H3
InChIKeyCJDRWQNEXFTQKJ-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.93
Rot. Bonds6

About [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine

[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine (PubChem CID 81328958) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
PubChem CID81328958
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)CC(C)C)C1
InChIInChI=1S/C14H29NOS/c1-4-5-12-6-7-13(9-15)14(8-12)17(16)10-11(2)3/h11-14H,4-10,15H2,1-3H3
InChIKeyCJDRWQNEXFTQKJ-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
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-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine (CID 81328958) is [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)CC(C)C)C1.
What is the InChIKey of [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine?
The InChIKey is CJDRWQNEXFTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-5-12-6-7-13(9-15)14(8-12)17(16)10-11(2)3/h11-14H,4-10,15H2,1-3H3.
What are the key properties of [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine?
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine has a molecular weight of 259.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81328958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).