N-hexa-1,3-dienylhex-3-en-1-imine

C12H19N — CID 56629480

IUPACN-hexa-1,3-dienylhex-3-en-1-imine
SMILESCCC=CC=C/N=C/CC=CCC
InChIInChI=1S/C12H19N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5-9,11-12H,3-4,10H2,1-2H3/b7-5?,8-6?,11-9?,13-12+
InChIKeyIQQZIOZYQRXFFD-PKPHHHDFSA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds6

About N-hexa-1,3-dienylhex-3-en-1-imine

N-hexa-1,3-dienylhex-3-en-1-imine (PubChem CID 56629480) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-hexa-1,3-dienylhex-3-en-1-imine.

Molecular Properties

Compound NameN-hexa-1,3-dienylhex-3-en-1-imine
PubChem CID56629480
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-hexa-1,3-dienylhex-3-en-1-imine
SMILESCCC=CC=C/N=C/CC=CCC
InChIInChI=1S/C12H19N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5-9,11-12H,3-4,10H2,1-2H3/b7-5?,8-6?,11-9?,13-12+
InChIKeyIQQZIOZYQRXFFD-PKPHHHDFSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3-dienylhex-3-en-1-imine?
The IUPAC name of N-hexa-1,3-dienylhex-3-en-1-imine (CID 56629480) is N-hexa-1,3-dienylhex-3-en-1-imine.
What is the SMILES notation for N-hexa-1,3-dienylhex-3-en-1-imine?
The canonical SMILES for N-hexa-1,3-dienylhex-3-en-1-imine is CCC=CC=C/N=C/CC=CCC.
What is the InChIKey of N-hexa-1,3-dienylhex-3-en-1-imine?
The InChIKey is IQQZIOZYQRXFFD-PKPHHHDFSA-N. The full InChI is InChI=1S/C12H19N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5-9,11-12H,3-4,10H2,1-2H3/b7-5?,8-6?,11-9?,13-12+.
What are the key properties of N-hexa-1,3-dienylhex-3-en-1-imine?
N-hexa-1,3-dienylhex-3-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3-dienylhex-3-en-1-imine is sourced from PubChem (CID 56629480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).