4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 62742743

IUPAC4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2cnc(C)[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-3-11-4-6-12(7-5-11)15-9-13-8-14-10(2)16-13/h8,11-12,15H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyWVSSJBPVTNXVRJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.78
Rot. Bonds4

About 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine

4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 62742743) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID62742743
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2cnc(C)[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-3-11-4-6-12(7-5-11)15-9-13-8-14-10(2)16-13/h8,11-12,15H,3-7,9H2,1-2H3,(H,14,16)
InChIKeyWVSSJBPVTNXVRJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 114544080
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 62743069
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63922530
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 64986067
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135
1-[2-(4-ethylcyclohexyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 65391140
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 63278046
4-[[(4-ethylcycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181296

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine (CID 62742743) is 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2cnc(C)[nH]2)CC1.
What is the InChIKey of 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is WVSSJBPVTNXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-4-6-12(7-5-11)15-9-13-8-14-10(2)16-13/h8,11-12,15H,3-7,9H2,1-2H3,(H,14,16).
What are the key properties of 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62742743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).