N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine

C9H15N — CID 126757784

IUPACN-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine
SMILESC=C/C=C(C)\N=C(/C)CC
InChIInChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h5,7H,1,6H2,2-4H3/b9-7-,10-8+
InChIKeyZETZNROVWSCUPM-FKJILZIQSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine

N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine (PubChem CID 126757784) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine
PubChem CID126757784
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine
SMILESC=C/C=C(C)\N=C(/C)CC
InChIInChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h5,7H,1,6H2,2-4H3/b9-7-,10-8+
InChIKeyZETZNROVWSCUPM-FKJILZIQSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]propan-2-imine
CID 142050176
(E)-N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 144064637
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]butan-2-imine
CID 153569940
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
CID 155050849
N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 170296968
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]propan-2-imine
CID 171521815
1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine
CID 174379181
N-[(E)-but-2-en-2-yl]butan-2-imine
CID 12603156
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
N-but-2-en-2-ylbutan-2-imine
CID 53948891
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]pentan-3-imine
CID 89208294
N-[(3Z)-hexa-3,5-dien-3-yl]propan-2-imine
CID 89277557

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine?
The IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine (CID 126757784) is N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine.
What is the SMILES notation for N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine?
The canonical SMILES for N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine is C=C/C=C(C)\N=C(/C)CC.
What is the InChIKey of N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine?
The InChIKey is ZETZNROVWSCUPM-FKJILZIQSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h5,7H,1,6H2,2-4H3/b9-7-,10-8+.
What are the key properties of N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine?
N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine is sourced from PubChem (CID 126757784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).