N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine

C11H17N3 — CID 116642955

IUPACN-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCc1nccn1CC
InChIInChI=1S/C11H17N3/c1-3-5-6-7-12-10-11-13-8-9-14(11)4-2/h8-9,12H,4,6-7,10H2,1-2H3
InChIKeyCCJPOUHHVCMGJF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.41
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine

N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine (PubChem CID 116642955) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
PubChem CID116642955
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCc1nccn1CC
InChIInChI=1S/C11H17N3/c1-3-5-6-7-12-10-11-13-8-9-14(11)4-2/h8-9,12H,4,6-7,10H2,1-2H3
InChIKeyCCJPOUHHVCMGJF-UHFFFAOYSA-N
XLogP1.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546572
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine (CID 116642955) is N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine is CC#CCCNCc1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine?
The InChIKey is CCJPOUHHVCMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-5-6-7-12-10-11-13-8-9-14(11)4-2/h8-9,12H,4,6-7,10H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine?
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine is sourced from PubChem (CID 116642955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).