2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 61466819

IUPAC2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1nccn1C
InChIInChI=1S/C13H23N3/c1-3-11-6-4-5-7-12(11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyWTWJYJPWGDHOOR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds4

About 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 61466819) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID61466819
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1nccn1C
InChIInChI=1S/C13H23N3/c1-3-11-6-4-5-7-12(11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyWTWJYJPWGDHOOR-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701192
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124865969
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 61466819) is 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is CCC1CCCCC1NCc1nccn1C.
What is the InChIKey of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WTWJYJPWGDHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-6-4-5-7-12(11)15-10-13-14-8-9-16(13)2/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61466819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).