6-[3-(dimethylamino)-4-methylanilino]hexanal

C15H24N2O — CID 88587221

IUPAC6-[3-(dimethylamino)-4-methylanilino]hexanal
SMILESCc1ccc(NCCCCCC=O)cc1N(C)C
InChIInChI=1S/C15H24N2O/c1-13-8-9-14(12-15(13)17(2)3)16-10-6-4-5-7-11-18/h8-9,11-12,16H,4-7,10H2,1-3H3
InChIKeySLFQTTJBKDPDMN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.23
Rot. Bonds8

About 6-[3-(dimethylamino)-4-methylanilino]hexanal

6-[3-(dimethylamino)-4-methylanilino]hexanal (PubChem CID 88587221) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-4-methylanilino]hexanal.

Molecular Properties

Compound Name6-[3-(dimethylamino)-4-methylanilino]hexanal
PubChem CID88587221
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name6-[3-(dimethylamino)-4-methylanilino]hexanal
SMILESCc1ccc(NCCCCCC=O)cc1N(C)C
InChIInChI=1S/C15H24N2O/c1-13-8-9-14(12-15(13)17(2)3)16-10-6-4-5-7-11-18/h8-9,11-12,16H,4-7,10H2,1-3H3
InChIKeySLFQTTJBKDPDMN-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(4-methylanilino)pentanal
CID 89217806
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 106437984
3-N,3-N,4-trimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 115378143
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-4-methylanilino]hexanal?
The IUPAC name of 6-[3-(dimethylamino)-4-methylanilino]hexanal (CID 88587221) is 6-[3-(dimethylamino)-4-methylanilino]hexanal.
What is the SMILES notation for 6-[3-(dimethylamino)-4-methylanilino]hexanal?
The canonical SMILES for 6-[3-(dimethylamino)-4-methylanilino]hexanal is Cc1ccc(NCCCCCC=O)cc1N(C)C.
What is the InChIKey of 6-[3-(dimethylamino)-4-methylanilino]hexanal?
The InChIKey is SLFQTTJBKDPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-8-9-14(12-15(13)17(2)3)16-10-6-4-5-7-11-18/h8-9,11-12,16H,4-7,10H2,1-3H3.
What are the key properties of 6-[3-(dimethylamino)-4-methylanilino]hexanal?
6-[3-(dimethylamino)-4-methylanilino]hexanal has a molecular weight of 248.37 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-4-methylanilino]hexanal is sourced from PubChem (CID 88587221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).