(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal

C9H15NO — CID 168967318

IUPAC(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
SMILESC=C(/C=C\C=O)N(C)CCC
InChIInChI=1S/C9H15NO/c1-4-7-10(3)9(2)6-5-8-11/h5-6,8H,2,4,7H2,1,3H3/b6-5-
InChIKeyOPIVGHULSASVCJ-WAYWQWQTSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds5

About (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal

(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal (PubChem CID 168967318) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
PubChem CID168967318
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
SMILESC=C(/C=C\C=O)N(C)CCC
InChIInChI=1S/C9H15NO/c1-4-7-10(3)9(2)6-5-8-11/h5-6,8H,2,4,7H2,1,3H3/b6-5-
InChIKeyOPIVGHULSASVCJ-WAYWQWQTSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
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

(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
(2Z)-4-(dimethylamino)penta-2,4-dienal
CID 45087254
5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
CID 123598373
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
ethane;2-[[1-hydroxy-6-[methyl-[(3Z)-5-oxopenta-1,3-dien-2-yl]amino]hexyl]amino]-N-(1-oxopropan-2-yl)acetamide;2-(methylamino)acetaldehyde;N-methylethanamine
CID 170745011
N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
CID 142234261
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
CID 142907359
(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane
CID 145235865
(Z,4Z)-4-[[2-[amino(methyl)amino]ethyl-methylamino]methylidene]hept-2-enal
CID 162729836
2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine
CID 123645048

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal?
The IUPAC name of (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal (CID 168967318) is (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal.
What is the SMILES notation for (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal?
The canonical SMILES for (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal is C=C(/C=C\C=O)N(C)CCC.
What is the InChIKey of (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal?
The InChIKey is OPIVGHULSASVCJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7-10(3)9(2)6-5-8-11/h5-6,8H,2,4,7H2,1,3H3/b6-5-.
What are the key properties of (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal?
(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal has a molecular weight of 153.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[methyl(propyl)amino]penta-2,4-dienal is sourced from PubChem (CID 168967318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).