1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine

C14H25N3 — CID 79744452

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCn1ccnc1CC1(N)CCC(C)CC1C
InChIInChI=1S/C14H25N3/c1-4-17-8-7-16-13(17)10-14(15)6-5-11(2)9-12(14)3/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyDZLDYAZVYPFKEW-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.60
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine

1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 79744452) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID79744452
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCn1ccnc1CC1(N)CCC(C)CC1C
InChIInChI=1S/C14H25N3/c1-4-17-8-7-16-13(17)10-14(15)6-5-11(2)9-12(14)3/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyDZLDYAZVYPFKEW-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79755493
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
1-[(5-ethyl-2-pyridinyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79746172
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-[(3,5-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776189
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 79744452) is 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is CCn1ccnc1CC1(N)CCC(C)CC1C.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is DZLDYAZVYPFKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17-8-7-16-13(17)10-14(15)6-5-11(2)9-12(14)3/h7-8,11-12H,4-6,9-10,15H2,1-3H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79744452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).