N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine

C9H15N — CID 90869246

IUPACN-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
SMILESCC=C(C)/C=C\N=C\CC
InChIInChI=1S/C9H15N/c1-4-7-10-8-6-9(3)5-2/h5-8H,4H2,1-3H3/b8-6-,9-5?,10-7+
InChIKeyHEMOYZHTZYTLGC-OSBOCYGOSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine

N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine (PubChem CID 90869246) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
PubChem CID90869246
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
SMILESCC=C(C)/C=C\N=C\CC
InChIInChI=1S/C9H15N/c1-4-7-10-8-6-9(3)5-2/h5-8H,4H2,1-3H3/b8-6-,9-5?,10-7+
InChIKeyHEMOYZHTZYTLGC-OSBOCYGOSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
CID 143659410
(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
CID 166698919
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine
CID 142193447
(Z)-N'-propylideneprop-2-ene-1,3-diimine
CID 123520631
N-ethyl-N-[(Z)-[(E)-2-methylbut-2-enylidene]amino]ethanamine
CID 5365297
(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 143279361

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine?
The IUPAC name of N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine (CID 90869246) is N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine?
The canonical SMILES for N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine is CC=C(C)/C=C\N=C\CC.
What is the InChIKey of N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine?
The InChIKey is HEMOYZHTZYTLGC-OSBOCYGOSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-10-8-6-9(3)5-2/h5-8H,4H2,1-3H3/b8-6-,9-5?,10-7+.
What are the key properties of N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine?
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine is sourced from PubChem (CID 90869246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).