N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine

C11H19N — CID 91536988

IUPACN-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine
SMILESCC/C=C\C(=C\CC)\N=C\CC
InChIInChI=1S/C11H19N/c1-4-7-9-11(8-5-2)12-10-6-3/h7-10H,4-6H2,1-3H3/b9-7-,11-8-,12-10+
InChIKeyDYRHGGAPJIPZPQ-ORVHFSEBSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine

N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine (PubChem CID 91536988) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine
PubChem CID91536988
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine
SMILESCC/C=C\C(=C\CC)\N=C\CC
InChIInChI=1S/C11H19N/c1-4-7-9-11(8-5-2)12-10-6-3/h7-10H,4-6H2,1-3H3/b9-7-,11-8-,12-10+
InChIKeyDYRHGGAPJIPZPQ-ORVHFSEBSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine?
The IUPAC name of N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine (CID 91536988) is N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine.
What is the SMILES notation for N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine?
The canonical SMILES for N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine is CC/C=C\C(=C\CC)\N=C\CC.
What is the InChIKey of N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine?
The InChIKey is DYRHGGAPJIPZPQ-ORVHFSEBSA-N. The full InChI is InChI=1S/C11H19N/c1-4-7-9-11(8-5-2)12-10-6-3/h7-10H,4-6H2,1-3H3/b9-7-,11-8-,12-10+.
What are the key properties of N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine?
N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-octa-3,5-dien-4-yl]propan-1-imine is sourced from PubChem (CID 91536988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).