3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine

C7H10N2 — CID 88611094

IUPAC3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine
SMILESC=NC(=C)C(=C)C(=C)N
InChIInChI=1S/C7H10N2/c1-5(6(2)8)7(3)9-4/h1-4,8H2
InChIKeyWWZSVPIFSIVTNI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds3

About 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine

3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine (PubChem CID 88611094) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine.

Molecular Properties

Compound Name3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine
PubChem CID88611094
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine
SMILESC=NC(=C)C(=C)C(=C)N
InChIInChI=1S/C7H10N2/c1-5(6(2)8)7(3)9-4/h1-4,8H2
InChIKeyWWZSVPIFSIVTNI-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine?
The IUPAC name of 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine (CID 88611094) is 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine.
What is the SMILES notation for 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine?
The canonical SMILES for 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine is C=NC(=C)C(=C)C(=C)N.
What is the InChIKey of 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine?
The InChIKey is WWZSVPIFSIVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5(6(2)8)7(3)9-4/h1-4,8H2.
What are the key properties of 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine?
3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine has a molecular weight of 122.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-(methylideneamino)penta-1,4-dien-2-amine is sourced from PubChem (CID 88611094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).