2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

C14H29NOS — CID 107760465

IUPAC2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CCS(=O)C1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29NOS/c1-10(2)7-8-17(16)14-9-12(11(3)4)5-6-13(14)15/h10-14H,5-9,15H2,1-4H3
InChIKeyOXNZARCUKOETME-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.93
Rot. Bonds5

About 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107760465) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID107760465
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CCS(=O)C1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29NOS/c1-10(2)7-8-17(16)14-9-12(11(3)4)5-6-13(14)15/h10-14H,5-9,15H2,1-4H3
InChIKeyOXNZARCUKOETME-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 64652738
2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64676309
2-(3-methylbutylsulfinyl)cyclopentan-1-amine
CID 107760700
2-[(4-chlorophenyl)methylsulfinyl]-4-propan-2-ylcyclohexan-1-amine
CID 114792237
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 107758269
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (CID 107760465) is 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)CCS(=O)C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OXNZARCUKOETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-10(2)7-8-17(16)14-9-12(11(3)4)5-6-13(14)15/h10-14H,5-9,15H2,1-4H3.
What are the key properties of 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107760465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).