[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine

C9H15N3 — CID 114707540

IUPAC[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
SMILESC/C=C/CCn1cncc1CN
InChIInChI=1S/C9H15N3/c1-2-3-4-5-12-8-11-7-9(12)6-10/h2-3,7-8H,4-6,10H2,1H3/b3-2+
InChIKeyRWQPQVMVBQVXJK-NSCUHMNNSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds4

About [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine

[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine (PubChem CID 114707540) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
PubChem CID114707540
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
SMILESC/C=C/CCn1cncc1CN
InChIInChI=1S/C9H15N3/c1-2-3-4-5-12-8-11-7-9(12)6-10/h2-3,7-8H,4-6,10H2,1H3/b3-2+
InChIKeyRWQPQVMVBQVXJK-NSCUHMNNSA-N
XLogP1.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121
(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
CID 115628974
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
CID 106327223
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
CID 114704497
[3-[(1-methyltetrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 130979520
[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine (CID 114707540) is [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine is C/C=C/CCn1cncc1CN.
What is the InChIKey of [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine?
The InChIKey is RWQPQVMVBQVXJK-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-5-12-8-11-7-9(12)6-10/h2-3,7-8H,4-6,10H2,1H3/b3-2+.
What are the key properties of [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine?
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114707540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).