(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine

C10H17N3 — CID 115628974

IUPAC(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cncn1C
InChIInChI=1S/C10H17N3/c1-3-4-5-6-11-7-10-8-12-9-13(10)2/h3-4,8-9,11H,5-7H2,1-2H3/b4-3+
InChIKeyBNHLPQQGSNELCT-ONEGZZNKSA-N
MW179.27 g/mol
LogP1.48
Rot. Bonds5

About (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine

(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine (PubChem CID 115628974) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
PubChem CID115628974
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cncn1C
InChIInChI=1S/C10H17N3/c1-3-4-5-6-11-7-10-8-12-9-13(10)2/h3-4,8-9,11H,5-7H2,1-2H3/b4-3+
InChIKeyBNHLPQQGSNELCT-ONEGZZNKSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine (CID 115628974) is (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cncn1C.
What is the InChIKey of (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine?
The InChIKey is BNHLPQQGSNELCT-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-6-11-7-10-8-12-9-13(10)2/h3-4,8-9,11H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine?
(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115628974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).