1-N-prop-2-enylpentane-1,2,3-triimine

C8H13N3 — CID 123425391

IUPAC1-N-prop-2-enylpentane-1,2,3-triimine
SMILES[H]/N=C(/C=N/CC=C)C(\CC)=N\[H]
InChIInChI=1S/C8H13N3/c1-3-5-11-6-8(10)7(9)4-2/h3,6,9-10H,1,4-5H2,2H3/b9-7+,10-8-,11-6+
InChIKeyYFEVRBDKFVFDAH-ZYEAKNLOSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds5

About 1-N-prop-2-enylpentane-1,2,3-triimine

1-N-prop-2-enylpentane-1,2,3-triimine (PubChem CID 123425391) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-N-prop-2-enylpentane-1,2,3-triimine.

Molecular Properties

Compound Name1-N-prop-2-enylpentane-1,2,3-triimine
PubChem CID123425391
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-N-prop-2-enylpentane-1,2,3-triimine
SMILES[H]/N=C(/C=N/CC=C)C(\CC)=N\[H]
InChIInChI=1S/C8H13N3/c1-3-5-11-6-8(10)7(9)4-2/h3,6,9-10H,1,4-5H2,2H3/b9-7+,10-8-,11-6+
InChIKeyYFEVRBDKFVFDAH-ZYEAKNLOSA-N
XLogP1.69
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N-prop-2-enylpentane-1,2,3-triimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-prop-2-enylpentane-1,2,3-triimine?
The IUPAC name of 1-N-prop-2-enylpentane-1,2,3-triimine (CID 123425391) is 1-N-prop-2-enylpentane-1,2,3-triimine.
What is the SMILES notation for 1-N-prop-2-enylpentane-1,2,3-triimine?
The canonical SMILES for 1-N-prop-2-enylpentane-1,2,3-triimine is [H]/N=C(/C=N/CC=C)C(\CC)=N\[H].
What is the InChIKey of 1-N-prop-2-enylpentane-1,2,3-triimine?
The InChIKey is YFEVRBDKFVFDAH-ZYEAKNLOSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-5-11-6-8(10)7(9)4-2/h3,6,9-10H,1,4-5H2,2H3/b9-7+,10-8-,11-6+.
What are the key properties of 1-N-prop-2-enylpentane-1,2,3-triimine?
1-N-prop-2-enylpentane-1,2,3-triimine has a molecular weight of 151.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-2-enylpentane-1,2,3-triimine is sourced from PubChem (CID 123425391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).