1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine

C12H16N3- — CID 91928165

IUPAC1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
SMILESCCn1ccnc1CNCc1cc[cH-]c1
InChIInChI=1S/C12H16N3/c1-2-15-8-7-14-12(15)10-13-9-11-5-3-4-6-11/h3-8,13H,2,9-10H2,1H3/q-1
InChIKeyGJCOWTNYBURFKK-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.91
Rot. Bonds5

About 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine

1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine (PubChem CID 91928165) has the molecular formula C12H16N3- and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
PubChem CID91928165
Molecular FormulaC12H16N3-
Molecular Weight202.28 g/mol
Exact Mass202.13
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
SMILESCCn1ccnc1CNCc1cc[cH-]c1
InChIInChI=1S/C12H16N3/c1-2-15-8-7-14-12(15)10-13-9-11-5-3-4-6-11/h3-8,13H,2,9-10H2,1H3/q-1
InChIKeyGJCOWTNYBURFKK-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 91928163
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 62350136
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine (CID 91928165) is 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine is CCn1ccnc1CNCc1cc[cH-]c1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The InChIKey is GJCOWTNYBURFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3/c1-2-15-8-7-14-12(15)10-13-9-11-5-3-4-6-11/h3-8,13H,2,9-10H2,1H3/q-1.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine has a molecular weight of 202.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 91928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).