2-[butan-2-yl(butyl)amino]benzaldehyde

C15H23NO — CID 55004885

IUPAC2-[butan-2-yl(butyl)amino]benzaldehyde
SMILESCCCCN(c1ccccc1C=O)C(C)CC
InChIInChI=1S/C15H23NO/c1-4-6-11-16(13(3)5-2)15-10-8-7-9-14(15)12-17/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyNZCHHBYFDSNACX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.90
Rot. Bonds7

About 2-[butan-2-yl(butyl)amino]benzaldehyde

2-[butan-2-yl(butyl)amino]benzaldehyde (PubChem CID 55004885) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]benzaldehyde
PubChem CID55004885
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[butan-2-yl(butyl)amino]benzaldehyde
SMILESCCCCN(c1ccccc1C=O)C(C)CC
InChIInChI=1S/C15H23NO/c1-4-6-11-16(13(3)5-2)15-10-8-7-9-14(15)12-17/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyNZCHHBYFDSNACX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

4-bromo-2-[butan-2-yl(butyl)amino]benzaldehyde
CID 63534451
2-(N-butylanilino)benzaldehyde
CID 64585010
2-[2-hydroxyethyl(pentan-3-yl)amino]benzaldehyde
CID 54994145
2-[benzyl(butyl)amino]benzaldehyde
CID 151381446
2-bromo-1-N-butan-2-yl-1-N-butylbenzene-1,4-diamine
CID 63406245
4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
CID 82907017
4-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
N-butan-2-yl-N-butyl-2-chloro-4-(chloromethyl)aniline
CID 81151646
3-[butan-2-yl(butyl)amino]phenol
CID 67927782
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]benzaldehyde?
The IUPAC name of 2-[butan-2-yl(butyl)amino]benzaldehyde (CID 55004885) is 2-[butan-2-yl(butyl)amino]benzaldehyde.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]benzaldehyde?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]benzaldehyde is CCCCN(c1ccccc1C=O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]benzaldehyde?
The InChIKey is NZCHHBYFDSNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-11-16(13(3)5-2)15-10-8-7-9-14(15)12-17/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]benzaldehyde?
2-[butan-2-yl(butyl)amino]benzaldehyde has a molecular weight of 233.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]benzaldehyde is sourced from PubChem (CID 55004885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).