1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C15H25NS — CID 55192164

IUPAC1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(C)s2)CC1
InChIInChI=1S/C15H25NS/c1-3-13-5-7-14(8-6-13)10-16-11-15-9-4-12(2)17-15/h4,9,13-14,16H,3,5-8,10-11H2,1-2H3
InChIKeyKSBGCDKUDJUDJJ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 55192164) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID55192164
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(C)s2)CC1
InChIInChI=1S/C15H25NS/c1-3-13-5-7-14(8-6-13)10-16-11-15-9-4-12(2)17-15/h4,9,13-14,16H,3,5-8,10-11H2,1-2H3
InChIKeyKSBGCDKUDJUDJJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006349
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
4-[[(5-methylthiophen-2-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529294
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 114421441
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 79420343
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 55192164) is 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is CCC1CCC(CNCc2ccc(C)s2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is KSBGCDKUDJUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-13-5-7-14(8-6-13)10-16-11-15-9-4-12(2)17-15/h4,9,13-14,16H,3,5-8,10-11H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 251.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 55192164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).