N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine

C15H27N3 — CID 114283409

IUPACN-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cnc(C)n1C)C1CCC(C)CC1
InChIInChI=1S/C15H27N3/c1-5-16-15(13-8-6-11(2)7-9-13)14-10-17-12(3)18(14)4/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeySYIWROQUDQYAMJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds4

About N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 114283409) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID114283409
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cnc(C)n1C)C1CCC(C)CC1
InChIInChI=1S/C15H27N3/c1-5-16-15(13-8-6-11(2)7-9-13)14-10-17-12(3)18(14)4/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeySYIWROQUDQYAMJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylimidazol-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114283408
N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine
CID 114283528
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153760
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
[(2,3-dimethylimidazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 114283593
N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
CID 64775461
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 64776273
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine (CID 114283409) is N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cnc(C)n1C)C1CCC(C)CC1.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is SYIWROQUDQYAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-16-15(13-8-6-11(2)7-9-13)14-10-17-12(3)18(14)4/h10-11,13,15-16H,5-9H2,1-4H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114283409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).