2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine

C13H27NOS — CID 115997493

IUPAC2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)CCS(C)=O
InChIInChI=1S/C13H27NOS/c1-4-12-7-5-6-8-13(12)14-11(2)9-10-16(3)15/h11-14H,4-10H2,1-3H3
InChIKeyYKVBVVAFLQKKCQ-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds6

About 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine

2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine (PubChem CID 115997493) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
PubChem CID115997493
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)CCS(C)=O
InChIInChI=1S/C13H27NOS/c1-4-12-7-5-6-8-13(12)14-11(2)9-10-16(3)15/h11-14H,4-10H2,1-3H3
InChIKeyYKVBVVAFLQKKCQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103267849
N-[(1S)-1-cyclopentylethyl]-2-ethylcyclohexan-1-amine
CID 81386660
N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
CID 102868581
1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
CID 115901446
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
4-tert-butyl-N-(4-methylsulfinylbutan-2-yl)cycloheptan-1-amine
CID 115750469
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 77031616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine (CID 115997493) is 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine is CCC1CCCCC1NC(C)CCS(C)=O.
What is the InChIKey of 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is YKVBVVAFLQKKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-12-7-5-6-8-13(12)14-11(2)9-10-16(3)15/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine?
2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 115997493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).