N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine

C14H23N3 — CID 86799390

IUPACN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCC1=CCCC(C)C1CNCCn1ccnc1
InChIInChI=1S/C14H23N3/c1-12-4-3-5-13(2)14(12)10-15-6-8-17-9-7-16-11-17/h4,7,9,11,13-15H,3,5-6,8,10H2,1-2H3
InChIKeyHYQGDGLMTBINIF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds5

About N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine (PubChem CID 86799390) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
PubChem CID86799390
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCC1=CCCC(C)C1CNCCn1ccnc1
InChIInChI=1S/C14H23N3/c1-12-4-3-5-13(2)14(12)10-15-6-8-17-9-7-16-11-17/h4,7,9,11,13-15H,3,5-6,8,10H2,1-2H3
InChIKeyHYQGDGLMTBINIF-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 86799389
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
tert-butyl 4-[(2-imidazol-1-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730192
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
N-(2-imidazol-1-ylethyl)but-2-yn-1-amine
CID 62312531
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 99856203
1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
CID 106565967
2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80995126
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine (CID 86799390) is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine is CC1=CCCC(C)C1CNCCn1ccnc1.
What is the InChIKey of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine?
The InChIKey is HYQGDGLMTBINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-4-3-5-13(2)14(12)10-15-6-8-17-9-7-16-11-17/h4,7,9,11,13-15H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine?
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 86799390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).