3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine

C13H27NS — CID 115706194

IUPAC3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine
SMILESCSCCNC(C)C(C)C1CCCCC1
InChIInChI=1S/C13H27NS/c1-11(12(2)14-9-10-15-3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3
InChIKeyLDMZXRVQXKYUMT-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds6

About 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine

3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine (PubChem CID 115706194) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine
PubChem CID115706194
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine
SMILESCSCCNC(C)C(C)C1CCCCC1
InChIInChI=1S/C13H27NS/c1-11(12(2)14-9-10-15-3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3
InChIKeyLDMZXRVQXKYUMT-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
1-cyclohexyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706234
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
N-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
1-cycloheptyl-3-methylsulfanylpropan-1-ol
CID 82928181
1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine?
The IUPAC name of 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine (CID 115706194) is 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine.
What is the SMILES notation for 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine?
The canonical SMILES for 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine is CSCCNC(C)C(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine?
The InChIKey is LDMZXRVQXKYUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(12(2)14-9-10-15-3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine?
3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 115706194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).