1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine

C14H29NS — CID 105154521

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29NS/c1-5-15-14(8-9-16-4)13-7-6-11(2)12(3)10-13/h11-15H,5-10H2,1-4H3
InChIKeyJLYJYDZRIPOUEZ-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.79
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine

1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine (PubChem CID 105154521) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
PubChem CID105154521
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29NS/c1-5-15-14(8-9-16-4)13-7-6-11(2)12(3)10-13/h11-15H,5-10H2,1-4H3
InChIKeyJLYJYDZRIPOUEZ-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
CID 116660864
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105154585
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761248
1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105152861
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 104989358

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine (CID 105154521) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine is CCNC(CCSC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The InChIKey is JLYJYDZRIPOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-15-14(8-9-16-4)13-7-6-11(2)12(3)10-13/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105154521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).