N-penta-2,4-dien-2-ylmethanimine

C6H9N — CID 91009510

IUPACN-penta-2,4-dien-2-ylmethanimine
SMILESC=CC=C(C)N=C
InChIInChI=1S/C6H9N/c1-4-5-6(2)7-3/h4-5H,1,3H2,2H3
InChIKeyLASOAXSAOZKSMF-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.78
Rot. Bonds2

About N-penta-2,4-dien-2-ylmethanimine

N-penta-2,4-dien-2-ylmethanimine (PubChem CID 91009510) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-penta-2,4-dien-2-ylmethanimine.

Molecular Properties

Compound NameN-penta-2,4-dien-2-ylmethanimine
PubChem CID91009510
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-penta-2,4-dien-2-ylmethanimine
SMILESC=CC=C(C)N=C
InChIInChI=1S/C6H9N/c1-4-5-6(2)7-3/h4-5H,1,3H2,2H3
InChIKeyLASOAXSAOZKSMF-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.78
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'}

Analyze N-penta-2,4-dien-2-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
N-but-2-en-2-ylmethanimine
CID 20732295
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidate
CID 57605314

Frequently Asked Questions

What is the IUPAC name of N-penta-2,4-dien-2-ylmethanimine?
The IUPAC name of N-penta-2,4-dien-2-ylmethanimine (CID 91009510) is N-penta-2,4-dien-2-ylmethanimine.
What is the SMILES notation for N-penta-2,4-dien-2-ylmethanimine?
The canonical SMILES for N-penta-2,4-dien-2-ylmethanimine is C=CC=C(C)N=C.
What is the InChIKey of N-penta-2,4-dien-2-ylmethanimine?
The InChIKey is LASOAXSAOZKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-4-5-6(2)7-3/h4-5H,1,3H2,2H3.
What are the key properties of N-penta-2,4-dien-2-ylmethanimine?
N-penta-2,4-dien-2-ylmethanimine has a molecular weight of 95.14 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-2,4-dien-2-ylmethanimine is sourced from PubChem (CID 91009510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).