N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine

C8H13N — CID 89352753

IUPACN-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine
SMILESC/C=C/C=C\N=C(C)C
InChIInChI=1S/C8H13N/c1-4-5-6-7-9-8(2)3/h4-7H,1-3H3/b5-4+,7-6-
InChIKeyKSRFQOIAYZMUFE-DEQVHDEQSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds2

About N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine

N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine (PubChem CID 89352753) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine
PubChem CID89352753
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine
SMILESC/C=C/C=C\N=C(C)C
InChIInChI=1S/C8H13N/c1-4-5-6-7-9-8(2)3/h4-7H,1-3H3/b5-4+,7-6-
InChIKeyKSRFQOIAYZMUFE-DEQVHDEQSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine (CID 89352753) is N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine is C/C=C/C=C\N=C(C)C.
What is the InChIKey of N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine?
The InChIKey is KSRFQOIAYZMUFE-DEQVHDEQSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-7-9-8(2)3/h4-7H,1-3H3/b5-4+,7-6-.
What are the key properties of N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine?
N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 89352753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).