(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal

C8H13NO — CID 118527640

IUPAC(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal
SMILESC/C(N)=C/C(C)=C(\C)C=O
InChIInChI=1S/C8H13NO/c1-6(4-8(3)9)7(2)5-10/h4-5H,9H2,1-3H3/b7-6+,8-4-
InChIKeyZCIJGJIGSCXAAE-SDMAFULYSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds2

About (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal

(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal (PubChem CID 118527640) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal
PubChem CID118527640
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal
SMILESC/C(N)=C/C(C)=C(\C)C=O
InChIInChI=1S/C8H13NO/c1-6(4-8(3)9)7(2)5-10/h4-5H,9H2,1-3H3/b7-6+,8-4-
InChIKeyZCIJGJIGSCXAAE-SDMAFULYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 149307749
(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial
CID 91266137
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
2-amino-6-methylhepta-2,5-dien-4-one
CID 140829614
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(Z)-3-amino-2,5-dimethylhex-2-enal
CID 143627282
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
acetamide;formic acid
CID 19762194
3-aminobut-2-enimidoyl fluoride
CID 149013787
4-amino-1-cyclopropylpent-3-en-2-one
CID 130732609
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
formic acid;3-methylbut-2-en-2-amine
CID 174774207

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal?
The IUPAC name of (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal (CID 118527640) is (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal.
What is the SMILES notation for (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal?
The canonical SMILES for (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal is C/C(N)=C/C(C)=C(\C)C=O.
What is the InChIKey of (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal?
The InChIKey is ZCIJGJIGSCXAAE-SDMAFULYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(4-8(3)9)7(2)5-10/h4-5H,9H2,1-3H3/b7-6+,8-4-.
What are the key properties of (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal?
(2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal has a molecular weight of 139.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-2,3-dimethylhexa-2,4-dienal is sourced from PubChem (CID 118527640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).