2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine

C14H29NOS — CID 64734774

IUPAC2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCS(=O)C1C(C)CC(C)CC1NCC
InChIInChI=1S/C14H29NOS/c1-5-7-8-17(16)14-12(4)9-11(3)10-13(14)15-6-2/h11-15H,5-10H2,1-4H3
InChIKeyOOENOHNIBJVFOH-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.95
Rot. Bonds6

About 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734774) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64734774
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCS(=O)C1C(C)CC(C)CC1NCC
InChIInChI=1S/C14H29NOS/c1-5-7-8-17(16)14-12(4)9-11(3)10-13(14)15-6-2/h11-15H,5-10H2,1-4H3
InChIKeyOOENOHNIBJVFOH-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64734774) is 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCCCS(=O)C1C(C)CC(C)CC1NCC.
What is the InChIKey of 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is OOENOHNIBJVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-7-8-17(16)14-12(4)9-11(3)10-13(14)15-6-2/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).