1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine

C13H23N3 — CID 65391140

IUPAC1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2ncc(CNC)[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-3-10-4-6-11(7-5-10)13-15-9-12(16-13)8-14-2/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRMVWQRZSZXOUAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 65391140) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID65391140
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2ncc(CNC)[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-3-10-4-6-11(7-5-10)13-15-9-12(16-13)8-14-2/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRMVWQRZSZXOUAX-UHFFFAOYSA-N
XLogP2.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine
CID 64986014
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]ethanamine
CID 80611535
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 65404488
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 64986065
2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol
CID 139558340
N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 65391075
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 64986067
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 80611809
N-methyl-1-(2-propyl-1H-imidazol-5-yl)methanamine
CID 63108982

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 65391140) is 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine is CCC1CCC(c2ncc(CNC)[nH]2)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is RMVWQRZSZXOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10-4-6-11(7-5-10)13-15-9-12(16-13)8-14-2/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65391140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).