(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine

C8H14N2 — CID 118550351

IUPAC(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=NN/C(C)=C(\C)C(=C)C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)8(4)10-9-5/h10H,1,5H2,2-4H3/b8-7+
InChIKeyFKZAGEPIUOJTIH-BQYQJAHWSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine

(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine (PubChem CID 118550351) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
PubChem CID118550351
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=NN/C(C)=C(\C)C(=C)C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)8(4)10-9-5/h10H,1,5H2,2-4H3/b8-7+
InChIKeyFKZAGEPIUOJTIH-BQYQJAHWSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine (CID 118550351) is (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine is C=NN/C(C)=C(\C)C(=C)C.
What is the InChIKey of (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine?
The InChIKey is FKZAGEPIUOJTIH-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)7(3)8(4)10-9-5/h10H,1,5H2,2-4H3/b8-7+.
What are the key properties of (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine?
(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine is sourced from PubChem (CID 118550351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).