4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde

C17H28N2O — CID 102994596

IUPAC4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
SMILESCCN(CC)CCCN(CC)c1ccc(C=O)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18(6-2)11-8-12-19(7-3)17-10-9-16(14-20)13-15(17)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyOCSLZIHEUQEQOZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.37
Rot. Bonds9

About 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde

4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde (PubChem CID 102994596) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
PubChem CID102994596
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
SMILESCCN(CC)CCCN(CC)c1ccc(C=O)cc1C
InChIInChI=1S/C17H28N2O/c1-5-18(6-2)11-8-12-19(7-3)17-10-9-16(14-20)13-15(17)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyOCSLZIHEUQEQOZ-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(diethylamino)propyl-ethylamino]-3-fluorobenzaldehyde
CID 102994591
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
CID 55040153
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
2-[3-(dimethylamino)propyl-ethylamino]-5-formylbenzonitrile
CID 114063316
3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
CID 106529426
4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
CID 63536813
4-[2-chloroethyl(methyl)amino]-3-methylbenzaldehyde
CID 71336306
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
3-methyl-4-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 55040300

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde (CID 102994596) is 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde is CCN(CC)CCCN(CC)c1ccc(C=O)cc1C.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde?
The InChIKey is OCSLZIHEUQEQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18(6-2)11-8-12-19(7-3)17-10-9-16(14-20)13-15(17)4/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde?
4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde has a molecular weight of 276.42 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde is sourced from PubChem (CID 102994596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).