2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C12H19N3 — CID 115762902

IUPAC2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCC1=CCCC1
InChIInChI=1S/C12H19N3/c1-15-9-8-14-12(15)10-13-7-6-11-4-2-3-5-11/h4,8-9,13H,2-3,5-7,10H2,1H3
InChIKeyYDHMGXJNIDGJLK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.01
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 115762902) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID115762902
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCC1=CCCC1
InChIInChI=1S/C12H19N3/c1-15-9-8-14-12(15)10-13-7-6-11-4-2-3-5-11/h4,8-9,13H,2-3,5-7,10H2,1H3
InChIKeyYDHMGXJNIDGJLK-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.01
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

2-(cyclohexen-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 60718936
2-(cyclopenten-1-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 114153915
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28620947
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 115762902) is 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cn1ccnc1CNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is YDHMGXJNIDGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-9-8-14-12(15)10-13-7-6-11-4-2-3-5-11/h4,8-9,13H,2-3,5-7,10H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115762902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).