4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde

C13H17NO — CID 170495666

IUPAC4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
SMILESCNCCC=Cc1cc(C)ccc1C=O
InChIInChI=1S/C13H17NO/c1-11-6-7-13(10-15)12(9-11)5-3-4-8-14-2/h3,5-7,9-10,14H,4,8H2,1-2H3
InChIKeySVVDDKQPLQWSOA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.43
Rot. Bonds5

About 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde

4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde (PubChem CID 170495666) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
PubChem CID170495666
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
SMILESCNCCC=Cc1cc(C)ccc1C=O
InChIInChI=1S/C13H17NO/c1-11-6-7-13(10-15)12(9-11)5-3-4-8-14-2/h3,5-7,9-10,14H,4,8H2,1-2H3
InChIKeySVVDDKQPLQWSOA-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
4-methyl-2-(4-sulfanylbut-1-enyl)benzaldehyde
CID 170478224
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
5-hydroxy-4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496309
4-[4-(methylamino)but-1-enyl]-2-nitrobenzaldehyde
CID 170496424
1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
CID 170496520
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
5-methyl-3-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
CID 170496168
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
4-(2-formyl-4-methylphenyl)but-3-enenitrile
CID 170799586

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde?
The IUPAC name of 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde (CID 170495666) is 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde.
What is the SMILES notation for 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde?
The canonical SMILES for 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde is CNCCC=Cc1cc(C)ccc1C=O.
What is the InChIKey of 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde?
The InChIKey is SVVDDKQPLQWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-7-13(10-15)12(9-11)5-3-4-8-14-2/h3,5-7,9-10,14H,4,8H2,1-2H3.
What are the key properties of 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde?
4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde has a molecular weight of 203.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde is sourced from PubChem (CID 170495666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).