4-[4-(dimethylamino)anilino]nonanal

C17H28N2O — CID 167155386

IUPAC4-[4-(dimethylamino)anilino]nonanal
SMILESCCCCCC(CCC=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-6-8-15(9-7-14-20)18-16-10-12-17(13-11-16)19(2)3/h10-15,18H,4-9H2,1-3H3
InChIKeyCFQWWHBETFALNI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.09
Rot. Bonds10

About 4-[4-(dimethylamino)anilino]nonanal

4-[4-(dimethylamino)anilino]nonanal (PubChem CID 167155386) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]nonanal.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]nonanal
PubChem CID167155386
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[4-(dimethylamino)anilino]nonanal
SMILESCCCCCC(CCC=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-6-8-15(9-7-14-20)18-16-10-12-17(13-11-16)19(2)3/h10-15,18H,4-9H2,1-3H3
InChIKeyCFQWWHBETFALNI-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine
CID 43782595
N-tridecan-6-ylaniline
CID 151143089
octan-3-yl N-[4-(dimethylamino)phenyl]carbamate
CID 174496203
N-decan-4-yl-4-[[4-(decan-4-ylamino)phenyl]disulfanyl]aniline
CID 88842040
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-fluoro-N-octan-3-ylaniline
CID 150524995
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
4-methyl-N-octan-4-ylaniline
CID 12779858

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]nonanal?
The IUPAC name of 4-[4-(dimethylamino)anilino]nonanal (CID 167155386) is 4-[4-(dimethylamino)anilino]nonanal.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]nonanal?
The canonical SMILES for 4-[4-(dimethylamino)anilino]nonanal is CCCCCC(CCC=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]nonanal?
The InChIKey is CFQWWHBETFALNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-6-8-15(9-7-14-20)18-16-10-12-17(13-11-16)19(2)3/h10-15,18H,4-9H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)anilino]nonanal?
4-[4-(dimethylamino)anilino]nonanal has a molecular weight of 276.42 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]nonanal is sourced from PubChem (CID 167155386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).