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

C6H9N — CID 91265074

IUPAC(3Z)-hexa-3,5-dien-1-imine
SMILES[H]/N=C/C/C=C\C=C
InChIInChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-4,6-7H,1,5H2/b4-3-,7-6+
InChIKeyOPTCLMBHADYUQO-WWVFNRLHSA-N
MW95.14 g/mol
LogP1.77
Rot. Bonds3

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

(3Z)-hexa-3,5-dien-1-imine (PubChem CID 91265074) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (3Z)-hexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z)-hexa-3,5-dien-1-imine
PubChem CID91265074
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(3Z)-hexa-3,5-dien-1-imine
SMILES[H]/N=C/C/C=C\C=C
InChIInChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-4,6-7H,1,5H2/b4-3-,7-6+
InChIKeyOPTCLMBHADYUQO-WWVFNRLHSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.77
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

propane-1,3-diimine
CID 18934492
(E)-5-iminopent-2-enoic acid
CID 166746904
propane;propane-1,3-diimine
CID 142057441
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
(3E)-3-ethylhexa-3,5-dien-1-imine
CID 163913850
benzene;(3E)-hexa-1,3-diene
CID 173449950
penta-2,4-diene-1-thiol
CID 71441570
CID 136777957
CID 136777957
cyclopenta-1,3-diene;(3E)-hepta-1,3,6-triene
CID 157104074
(4Z,7Z)-deca-4,7,9-trienal
CID 88655120
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753

Frequently Asked Questions

What is the IUPAC name of (3Z)-hexa-3,5-dien-1-imine?
The IUPAC name of (3Z)-hexa-3,5-dien-1-imine (CID 91265074) is (3Z)-hexa-3,5-dien-1-imine.
What is the SMILES notation for (3Z)-hexa-3,5-dien-1-imine?
The canonical SMILES for (3Z)-hexa-3,5-dien-1-imine is [H]/N=C/C/C=C\C=C.
What is the InChIKey of (3Z)-hexa-3,5-dien-1-imine?
The InChIKey is OPTCLMBHADYUQO-WWVFNRLHSA-N. The full InChI is InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-4,6-7H,1,5H2/b4-3-,7-6+.
What are the key properties of (3Z)-hexa-3,5-dien-1-imine?
(3Z)-hexa-3,5-dien-1-imine has a molecular weight of 95.14 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexa-3,5-dien-1-imine is sourced from PubChem (CID 91265074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).