1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C14H24N2S — CID 105156041

IUPAC1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1CCCC(C(NC)c2csc(C)n2)C1
InChIInChI=1S/C14H24N2S/c1-4-11-6-5-7-12(8-11)14(15-3)13-9-17-10(2)16-13/h9,11-12,14-15H,4-8H2,1-3H3
InChIKeyLEOAZKQNKHKLJH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105156041) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105156041
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCC1CCCC(C(NC)c2csc(C)n2)C1
InChIInChI=1S/C14H24N2S/c1-4-11-6-5-7-12(8-11)14(15-3)13-9-17-10(2)16-13/h9,11-12,14-15H,4-8H2,1-3H3
InChIKeyLEOAZKQNKHKLJH-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79987761
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 105155197
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992374
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105156041) is 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CCC1CCCC(C(NC)c2csc(C)n2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is LEOAZKQNKHKLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11-6-5-7-12(8-11)14(15-3)13-9-17-10(2)16-13/h9,11-12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105156041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).