(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal

C9H15NO — CID 131980383

IUPAC(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal
SMILESCN/C=C\C=C(/C=O)C(C)C
InChIInChI=1S/C9H15NO/c1-8(2)9(7-11)5-4-6-10-3/h4-8,10H,1-3H3/b6-4-,9-5+
InChIKeyHHJULGOVWRWYER-QUNSIMLLSA-N
MW153.22 g/mol
LogP1.50
Rot. Bonds4

About (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal

(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal (PubChem CID 131980383) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal
PubChem CID131980383
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal
SMILESCN/C=C\C=C(/C=O)C(C)C
InChIInChI=1S/C9H15NO/c1-8(2)9(7-11)5-4-6-10-3/h4-8,10H,1-3H3/b6-4-,9-5+
InChIKeyHHJULGOVWRWYER-QUNSIMLLSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal?
The IUPAC name of (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal (CID 131980383) is (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal?
The canonical SMILES for (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal is CN/C=C\C=C(/C=O)C(C)C.
What is the InChIKey of (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal?
The InChIKey is HHJULGOVWRWYER-QUNSIMLLSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)9(7-11)5-4-6-10-3/h4-8,10H,1-3H3/b6-4-,9-5+.
What are the key properties of (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal?
(2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal has a molecular weight of 153.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(methylamino)-2-propan-2-ylpenta-2,4-dienal is sourced from PubChem (CID 131980383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).