N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine

C10H17N — CID 143743991

IUPACN-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C/C(C)CC
InChIInChI=1S/C10H17N/c1-4-10(3)8-6-7-9-11-5-2/h5-10H,4H2,1-3H3/b8-6-,9-7-,11-5+
InChIKeyOAPLOSJTIQEZEL-JRXBHMARSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine

N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine (PubChem CID 143743991) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
PubChem CID143743991
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C/C(C)CC
InChIInChI=1S/C10H17N/c1-4-10(3)8-6-7-9-11-5-2/h5-10H,4H2,1-3H3/b8-6-,9-7-,11-5+
InChIKeyOAPLOSJTIQEZEL-JRXBHMARSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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,3Z)-5-methylhepta-1,3-dienyl]ethanimine 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

(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
3,6-dimethyloct-4-ene
CID 73165576
ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
CID 143330512
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
N-[(Z)-3-bromobut-1-enyl]ethanimine
CID 126690442
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
N-[(E)-but-1-enyl]ethanimine
CID 147915693
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
(Z)-5-methylhept-3-ene
CID 5364727
ethane;methane;(Z)-4-methylhex-2-en-1-imine
CID 178018442
2,2,6-trimethyloct-4-ene
CID 91281227
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine (CID 143743991) is N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine is C/C=N/C=C\C=C/C(C)CC.
What is the InChIKey of N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine?
The InChIKey is OAPLOSJTIQEZEL-JRXBHMARSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(3)8-6-7-9-11-5-2/h5-10H,4H2,1-3H3/b8-6-,9-7-,11-5+.
What are the key properties of N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine?
N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143743991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).