1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine

C14H25N3 — CID 66149073

IUPAC1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCCC1CCC(Cn2cncc2CNC)CC1
InChIInChI=1S/C14H25N3/c1-3-12-4-6-13(7-5-12)10-17-11-16-9-14(17)8-15-2/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyAMODOPCPKRLBQL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds5

About 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine

1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 66149073) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID66149073
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCCC1CCC(Cn2cncc2CNC)CC1
InChIInChI=1S/C14H25N3/c1-3-12-4-6-13(7-5-12)10-17-11-16-9-14(17)8-15-2/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyAMODOPCPKRLBQL-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
[3-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 66150823
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150946
1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
CID 103466374
N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148610
[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
CID 66148597
N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]-N-methylmethanamine
CID 79077642

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 66149073) is 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine is CCC1CCC(Cn2cncc2CNC)CC1.
What is the InChIKey of 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is AMODOPCPKRLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12-4-6-13(7-5-12)10-17-11-16-9-14(17)8-15-2/h9,11-13,15H,3-8,10H2,1-2H3.
What are the key properties of 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66149073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).