(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine

C6H9ClN2 — CID 138700894

IUPAC(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C=C(Cl)\C=C(/C)N
InChIInChI=1S/C6H9ClN2/c1-5(8)3-6(7)4-9-2/h3-4H,2,8H2,1H3/b5-3+,6-4+
InChIKeyBPZPEUQBYOOYHH-GGWOSOGESA-N
MW144.60 g/mol
LogP1.63
Rot. Bonds2

About (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine

(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine (PubChem CID 138700894) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
PubChem CID138700894
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C=C(Cl)\C=C(/C)N
InChIInChI=1S/C6H9ClN2/c1-5(8)3-6(7)4-9-2/h3-4H,2,8H2,1H3/b5-3+,6-4+
InChIKeyBPZPEUQBYOOYHH-GGWOSOGESA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.63
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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Related Compounds

(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(2Z,4E,6E)-4-amino-5-hydroxy-2,3-dimethyl-6-[(methylideneamino)methylidene]octa-2,4,7-trienimidoyl chloride
CID 169189927
S-[(Z)-1-(methylideneamino)prop-1-en-2-yl]thiohydroxylamine
CID 89298015
(Z)-3-amino-N-(methylideneamino)but-2-enamide
CID 129066381
1,2-dichloroprop-1-en-1-amine
CID 140981161
(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89331751
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
(2E,4E)-5-chloro-3-methylhepta-2,4,6-trien-2-amine
CID 134173997
N'-[(Z)-3,3,3-trifluoro-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
CID 167221961
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine (CID 138700894) is (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine is C=N/C=C(Cl)\C=C(/C)N.
What is the InChIKey of (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine?
The InChIKey is BPZPEUQBYOOYHH-GGWOSOGESA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5(8)3-6(7)4-9-2/h3-4H,2,8H2,1H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine?
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine has a molecular weight of 144.60 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine is sourced from PubChem (CID 138700894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).