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

C11H14N3- — CID 91928163

IUPAC1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1cc[cH-]c1
InChIInChI=1S/C11H14N3/c1-14-7-6-13-11(14)9-12-8-10-4-2-3-5-10/h2-7,12H,8-9H2,1H3/q-1
InChIKeySWWVKRSIWHZOFV-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.43
Rot. Bonds4

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

1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 91928163) has the molecular formula C11H14N3- and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID91928163
Molecular FormulaC11H14N3-
Molecular Weight188.25 g/mol
Exact Mass188.12
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1cc[cH-]c1
InChIInChI=1S/C11H14N3/c1-14-7-6-13-11(14)9-12-8-10-4-2-3-5-10/h2-7,12H,8-9H2,1H3/q-1
InChIKeySWWVKRSIWHZOFV-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.43
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-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 66472439
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 91928163) is 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCc1cc[cH-]c1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is SWWVKRSIWHZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3/c1-14-7-6-13-11(14)9-12-8-10-4-2-3-5-10/h2-7,12H,8-9H2,1H3/q-1.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 188.25 g/mol, XLogP of 1.43, 4 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-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 91928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).