(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal

C33H63NO — CID 146462803

IUPAC(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCN(C)C
InChIInChI=1S/C33H63NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,32-33H,4-7,10,13-31H2,1-3H3/b9-8-,12-11-
InChIKeyPCMXAJDRQMVBKQ-MURFETPASA-N
MW489.87 g/mol
LogP10.47
Rot. Bonds28

About (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal

(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal (PubChem CID 146462803) has the molecular formula C33H63NO and a molecular weight of 489.87 g/mol. Its IUPAC name is (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal.

Molecular Properties

Compound Name(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal
PubChem CID146462803
Molecular FormulaC33H63NO
Molecular Weight489.87 g/mol
Exact Mass489.49
IUPAC Name(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCN(C)C
InChIInChI=1S/C33H63NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,32-33H,4-7,10,13-31H2,1-3H3/b9-8-,12-11-
InChIKeyPCMXAJDRQMVBKQ-MURFETPASA-N
XLogP10.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.87
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal with MolForge

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Related Compounds

(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
N,N-dimethyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]undecan-1-amine
CID 87173676
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
(2S)-N,N-dimethyl-2-nonylhenicosa-12,15-dien-1-amine
CID 175125330
N,N,N'-trimethyl-N'-(2-octadeca-9,12-dienylicosa-11,14-dienyl)ethane-1,2-diamine
CID 76686112
(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine;[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 4-(dimethylamino)butanoate
CID 158542361
19-propyltritriaconta-6,9,24-triene
CID 54372361
7-propyldodecanal
CID 21439180
heptadeca-9,12-dienal
CID 76609850
icosa-5,8,11,14-tetraenal
CID 54011823
2-(dimethylamino)ethyl (13Z,16Z)-4-[(9Z,12Z)-octadeca-9,12-dienyl]docosa-13,16-dienoate
CID 58069623

Frequently Asked Questions

What is the IUPAC name of (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal?
The IUPAC name of (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal (CID 146462803) is (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal.
What is the SMILES notation for (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal?
The canonical SMILES for (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC=O)CCN(C)C.
What is the InChIKey of (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal?
The InChIKey is PCMXAJDRQMVBKQ-MURFETPASA-N. The full InChI is InChI=1S/C33H63NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,32-33H,4-7,10,13-31H2,1-3H3/b9-8-,12-11-.
What are the key properties of (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal?
(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal has a molecular weight of 489.87 g/mol, XLogP of 10.47, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal is sourced from PubChem (CID 146462803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).