3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine

C13H25NS — CID 104854149

IUPAC3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine
SMILESC=CCSCCNC1CCC(C)C(C)C1
InChIInChI=1S/C13H25NS/c1-4-8-15-9-7-14-13-6-5-11(2)12(3)10-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyJKUJIULXOSDIHJ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.32
Rot. Bonds6

About 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine

3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine (PubChem CID 104854149) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine
PubChem CID104854149
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine
SMILESC=CCSCCNC1CCC(C)C(C)C1
InChIInChI=1S/C13H25NS/c1-4-8-15-9-7-14-13-6-5-11(2)12(3)10-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyJKUJIULXOSDIHJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 3-(2-prop-2-enylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879733
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 64741111
N-(3,4-dimethylcyclohexyl)-2-prop-2-enylsulfanylaniline
CID 64747196
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
3,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64746013
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
7,7-dimethyl-N-(2-prop-2-enylsulfanylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906269
(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103901416
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine (CID 104854149) is 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine is C=CCSCCNC1CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is JKUJIULXOSDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-4-8-15-9-7-14-13-6-5-11(2)12(3)10-13/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine?
3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 104854149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).