4-(methylamino)-5-(4-methylphenyl)pentanal

C13H19NO — CID 144898654

IUPAC4-(methylamino)-5-(4-methylphenyl)pentanal
SMILESCNC(CCC=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)10-13(14-2)4-3-9-15/h5-9,13-14H,3-4,10H2,1-2H3
InChIKeyYUADDGMNDCUZIQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds6

About 4-(methylamino)-5-(4-methylphenyl)pentanal

4-(methylamino)-5-(4-methylphenyl)pentanal (PubChem CID 144898654) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(methylamino)-5-(4-methylphenyl)pentanal.

Molecular Properties

Compound Name4-(methylamino)-5-(4-methylphenyl)pentanal
PubChem CID144898654
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(methylamino)-5-(4-methylphenyl)pentanal
SMILESCNC(CCC=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)10-13(14-2)4-3-9-15/h5-9,13-14H,3-4,10H2,1-2H3
InChIKeyYUADDGMNDCUZIQ-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
(3R)-4-(4-iodophenyl)-3-(methylamino)butanal
CID 166917322
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
5-fluoro-4-(methylamino)pentanal
CID 146366173
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-(4-methylphenyl)pentanal?
The IUPAC name of 4-(methylamino)-5-(4-methylphenyl)pentanal (CID 144898654) is 4-(methylamino)-5-(4-methylphenyl)pentanal.
What is the SMILES notation for 4-(methylamino)-5-(4-methylphenyl)pentanal?
The canonical SMILES for 4-(methylamino)-5-(4-methylphenyl)pentanal is CNC(CCC=O)Cc1ccc(C)cc1.
What is the InChIKey of 4-(methylamino)-5-(4-methylphenyl)pentanal?
The InChIKey is YUADDGMNDCUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)10-13(14-2)4-3-9-15/h5-9,13-14H,3-4,10H2,1-2H3.
What are the key properties of 4-(methylamino)-5-(4-methylphenyl)pentanal?
4-(methylamino)-5-(4-methylphenyl)pentanal has a molecular weight of 205.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(4-methylphenyl)pentanal is sourced from PubChem (CID 144898654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).