1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

C13H28N2S — CID 112658082

IUPAC1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(N(C)CCSC)C1
InChIInChI=1S/C13H28N2S/c1-4-12-6-5-7-13(10-12,11-14)15(2)8-9-16-3/h12H,4-11,14H2,1-3H3
InChIKeySVIDIBCGAMECDU-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.58
Rot. Bonds6

About 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (PubChem CID 112658082) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
PubChem CID112658082
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(N(C)CCSC)C1
InChIInChI=1S/C13H28N2S/c1-4-12-6-5-7-13(10-12,11-14)15(2)8-9-16-3/h12H,4-11,14H2,1-3H3
InChIKeySVIDIBCGAMECDU-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 107429152
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658132
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine
CID 112658337
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (CID 112658082) is 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is CCC1CCCC(CN)(N(C)CCSC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is SVIDIBCGAMECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-12-6-5-7-13(10-12,11-14)15(2)8-9-16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 112658082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).