N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine

C9H15N — CID 123759056

IUPACN-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine
SMILESC=C(/C=C\C)/N=C/CCC
InChIInChI=1S/C9H15N/c1-4-6-8-10-9(3)7-5-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,10-8+
InChIKeyZVEZWFXWXUIYGQ-SUTBWYPISA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds4

About N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine

N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine (PubChem CID 123759056) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine
PubChem CID123759056
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine
SMILESC=C(/C=C\C)/N=C/CCC
InChIInChI=1S/C9H15N/c1-4-6-8-10-9(3)7-5-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,10-8+
InChIKeyZVEZWFXWXUIYGQ-SUTBWYPISA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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)-penta-1,3-dien-2-yl]butan-1-imine?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine (CID 123759056) is N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine is C=C(/C=C\C)/N=C/CCC.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine?
The InChIKey is ZVEZWFXWXUIYGQ-SUTBWYPISA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-8-10-9(3)7-5-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,10-8+.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine?
N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine is sourced from PubChem (CID 123759056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).