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

C13H28N2S — CID 112658132

IUPAC1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)CCSC
InChIInChI=1S/C13H28N2S/c1-4-12-7-5-6-8-13(12,11-14)15(2)9-10-16-3/h12H,4-11,14H2,1-3H3
InChIKeyCANCLJOHDIVTGC-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.58
Rot. Bonds6

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

1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (PubChem CID 112658132) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
PubChem CID112658132
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)CCSC
InChIInChI=1S/C13H28N2S/c1-4-12-7-5-6-8-13(12,11-14)15(2)9-10-16-3/h12H,4-11,14H2,1-3H3
InChIKeyCANCLJOHDIVTGC-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)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 79303841
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
CID 112658145
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
CID 64585380
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
N-[1-(aminomethyl)-2-ethylcyclopentyl]-N-methyloxan-4-amine
CID 113483713
2-N-[1-(aminomethyl)-2-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188193

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (CID 112658132) is 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is CCC1CCCCC1(CN)N(C)CCSC.
What is the InChIKey of 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is CANCLJOHDIVTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-12-7-5-6-8-13(12,11-14)15(2)9-10-16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
1-(aminomethyl)-2-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)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 112658132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).