(3Z)-hepta-3,5-dien-1-imine

C7H11N — CID 123947844

IUPAC(3Z)-hepta-3,5-dien-1-imine
SMILES[H]/N=C/C/C=C\C=CC
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-5,7-8H,6H2,1H3/b3-2?,5-4-,8-7+
InChIKeyWIRASQKODDSKAW-PSPZPSDXSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds3

About (3Z)-hepta-3,5-dien-1-imine

(3Z)-hepta-3,5-dien-1-imine (PubChem CID 123947844) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3Z)-hepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z)-hepta-3,5-dien-1-imine
PubChem CID123947844
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3Z)-hepta-3,5-dien-1-imine
SMILES[H]/N=C/C/C=C\C=CC
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-5,7-8H,6H2,1H3/b3-2?,5-4-,8-7+
InChIKeyWIRASQKODDSKAW-PSPZPSDXSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-pent-2-en-1-imine
CID 44820632
Azahexadiene
CID 53732655
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(E)-3-fluoropent-3-en-1-imine
CID 122663471
(2E,4E)-2-fluorohepta-2,4-dien-1-imine
CID 145395916
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
4-Methylpenta-2,4-dienylideneazanium
CID 91576873
(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine
CID 122401987
(E)-pent-2-en-1-imine
CID 17858252
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
(E)-hex-2-en-1-imine
CID 21135091

Frequently Asked Questions

What is the IUPAC name of (3Z)-hepta-3,5-dien-1-imine?
The IUPAC name of (3Z)-hepta-3,5-dien-1-imine (CID 123947844) is (3Z)-hepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z)-hepta-3,5-dien-1-imine?
The canonical SMILES for (3Z)-hepta-3,5-dien-1-imine is [H]/N=C/C/C=C\C=CC.
What is the InChIKey of (3Z)-hepta-3,5-dien-1-imine?
The InChIKey is WIRASQKODDSKAW-PSPZPSDXSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-5,7-8H,6H2,1H3/b3-2?,5-4-,8-7+.
What are the key properties of (3Z)-hepta-3,5-dien-1-imine?
(3Z)-hepta-3,5-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hepta-3,5-dien-1-imine is sourced from PubChem (CID 123947844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).