(3E)-5-(methylideneamino)penta-1,3-dien-3-amine

C6H10N2 — CID 166986229

IUPAC(3E)-5-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN=C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-4H,1-2,5,7H2/b6-4+
InChIKeyQNQPRDPOILIWMB-GQCTYLIASA-N
MW110.16 g/mol
LogP0.72
Rot. Bonds3

About (3E)-5-(methylideneamino)penta-1,3-dien-3-amine

(3E)-5-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 166986229) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (3E)-5-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-5-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID166986229
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(3E)-5-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN=C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-4H,1-2,5,7H2/b6-4+
InChIKeyQNQPRDPOILIWMB-GQCTYLIASA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.72
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 (3E)-5-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (3E)-5-(methylideneamino)penta-1,3-dien-3-amine (CID 166986229) is (3E)-5-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-5-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (3E)-5-(methylideneamino)penta-1,3-dien-3-amine is C=C/C(N)=C\CN=C.
What is the InChIKey of (3E)-5-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is QNQPRDPOILIWMB-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-4H,1-2,5,7H2/b6-4+.
What are the key properties of (3E)-5-(methylideneamino)penta-1,3-dien-3-amine?
(3E)-5-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 110.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 166986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).