2-[4-(butylamino)butylamino]benzaldehyde

C15H24N2O — CID 56992730

IUPAC2-[4-(butylamino)butylamino]benzaldehyde
SMILESCCCCNCCCCNc1ccccc1C=O
InChIInChI=1S/C15H24N2O/c1-2-3-10-16-11-6-7-12-17-15-9-5-4-8-14(15)13-18/h4-5,8-9,13,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyHBHQJQQGIUKAJG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.08
Rot. Bonds10

About 2-[4-(butylamino)butylamino]benzaldehyde

2-[4-(butylamino)butylamino]benzaldehyde (PubChem CID 56992730) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(butylamino)butylamino]benzaldehyde.

Molecular Properties

Compound Name2-[4-(butylamino)butylamino]benzaldehyde
PubChem CID56992730
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-(butylamino)butylamino]benzaldehyde
SMILESCCCCNCCCCNc1ccccc1C=O
InChIInChI=1S/C15H24N2O/c1-2-3-10-16-11-6-7-12-17-15-9-5-4-8-14(15)13-18/h4-5,8-9,13,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyHBHQJQQGIUKAJG-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
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

2-hydroxy-3-(pentylamino)benzaldehyde
CID 88730085
2-(3-fluoropropylamino)benzaldehyde
CID 84657874
2-(butylamino)-4-methylbenzaldehyde
CID 154316528
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
2-(hexadecylamino)phenol
CID 154256819
ethyl 7-(2-formylanilino)-3-pyrrolidin-1-ylheptanoate
CID 71661376
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807395
2-(tetradecylamino)benzoic acid
CID 15090293
N-heptyl-2-methylsulfanylaniline
CID 43683418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylamino)butylamino]benzaldehyde?
The IUPAC name of 2-[4-(butylamino)butylamino]benzaldehyde (CID 56992730) is 2-[4-(butylamino)butylamino]benzaldehyde.
What is the SMILES notation for 2-[4-(butylamino)butylamino]benzaldehyde?
The canonical SMILES for 2-[4-(butylamino)butylamino]benzaldehyde is CCCCNCCCCNc1ccccc1C=O.
What is the InChIKey of 2-[4-(butylamino)butylamino]benzaldehyde?
The InChIKey is HBHQJQQGIUKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-10-16-11-6-7-12-17-15-9-5-4-8-14(15)13-18/h4-5,8-9,13,16-17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-[4-(butylamino)butylamino]benzaldehyde?
2-[4-(butylamino)butylamino]benzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylamino)butylamino]benzaldehyde is sourced from PubChem (CID 56992730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).