3-(N-butylanilino)-2,2-dimethylpropanal

C15H23NO — CID 64584464

IUPAC3-(N-butylanilino)-2,2-dimethylpropanal
SMILESCCCCN(CC(C)(C)C=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-5-11-16(12-15(2,3)13-17)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyMBTMLBXFBUKSIS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.52
Rot. Bonds7

About 3-(N-butylanilino)-2,2-dimethylpropanal

3-(N-butylanilino)-2,2-dimethylpropanal (PubChem CID 64584464) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(N-butylanilino)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(N-butylanilino)-2,2-dimethylpropanal
PubChem CID64584464
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(N-butylanilino)-2,2-dimethylpropanal
SMILESCCCCN(CC(C)(C)C=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-5-11-16(12-15(2,3)13-17)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyMBTMLBXFBUKSIS-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
CID 64586766
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N,N-dibutylaniline;perchloric acid
CID 71443116
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
CID 66453458
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630

Frequently Asked Questions

What is the IUPAC name of 3-(N-butylanilino)-2,2-dimethylpropanal?
The IUPAC name of 3-(N-butylanilino)-2,2-dimethylpropanal (CID 64584464) is 3-(N-butylanilino)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(N-butylanilino)-2,2-dimethylpropanal?
The canonical SMILES for 3-(N-butylanilino)-2,2-dimethylpropanal is CCCCN(CC(C)(C)C=O)c1ccccc1.
What is the InChIKey of 3-(N-butylanilino)-2,2-dimethylpropanal?
The InChIKey is MBTMLBXFBUKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-11-16(12-15(2,3)13-17)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of 3-(N-butylanilino)-2,2-dimethylpropanal?
3-(N-butylanilino)-2,2-dimethylpropanal has a molecular weight of 233.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-butylanilino)-2,2-dimethylpropanal is sourced from PubChem (CID 64584464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).