N-[(1Z)-buta-1,3-dienyl]methanimine;methane

C6H11N — CID 145267256

IUPACN-[(1Z)-buta-1,3-dienyl]methanimine;methane
SMILESC.C=C/C=C\N=C
InChIInChI=1S/C5H7N.CH4/c1-3-4-5-6-2;/h3-5H,1-2H2;1H4/b5-4-;
InChIKeyVNINNSRISBBTTM-MKWAYWHRSA-N
MW97.16 g/mol
LogP2.02
Rot. Bonds2

About N-[(1Z)-buta-1,3-dienyl]methanimine;methane

N-[(1Z)-buta-1,3-dienyl]methanimine;methane (PubChem CID 145267256) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]methanimine;methane.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]methanimine;methane
PubChem CID145267256
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(1Z)-buta-1,3-dienyl]methanimine;methane
SMILESC.C=C/C=C\N=C
InChIInChI=1S/C5H7N.CH4/c1-3-4-5-6-2;/h3-5H,1-2H2;1H4/b5-4-;
InChIKeyVNINNSRISBBTTM-MKWAYWHRSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.02
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)-buta-1,3-dienyl]methanimine;methane?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;methane (CID 145267256) is N-[(1Z)-buta-1,3-dienyl]methanimine;methane.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]methanimine;methane?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]methanimine;methane is C.C=C/C=C\N=C.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]methanimine;methane?
The InChIKey is VNINNSRISBBTTM-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H7N.CH4/c1-3-4-5-6-2;/h3-5H,1-2H2;1H4/b5-4-;.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]methanimine;methane?
N-[(1Z)-buta-1,3-dienyl]methanimine;methane has a molecular weight of 97.16 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]methanimine;methane is sourced from PubChem (CID 145267256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).