4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde

C14H22N2O — CID 103189615

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
SMILESCCN(c1ccc(C=O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H22N2O/c1-5-16(12(2)10-15(3)4)14-8-6-13(11-17)7-9-14/h6-9,11-12H,5,10H2,1-4H3
InChIKeyDCSGOHMFCHBIMQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds6

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde

4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde (PubChem CID 103189615) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
PubChem CID103189615
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
SMILESCCN(c1ccc(C=O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H22N2O/c1-5-16(12(2)10-15(3)4)14-8-6-13(11-17)7-9-14/h6-9,11-12H,5,10H2,1-4H3
InChIKeyDCSGOHMFCHBIMQ-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
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

2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
CID 103189789
2-N-[4-(bromomethyl)-3-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114064478
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
CID 92914884
(E)-3-[4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylphenyl]prop-2-enoic acid
CID 103190096
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
ethyl 2-(4-formyl-N-methylanilino)propanoate
CID 12038866
(E)-3-[4-[butan-2-yl(ethyl)amino]phenyl]prop-2-enoic acid
CID 43274794
N-(4-formylphenyl)-N,2-dimethylpropanamide
CID 142058328

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde (CID 103189615) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde is CCN(c1ccc(C=O)cc1)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde?
The InChIKey is DCSGOHMFCHBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(12(2)10-15(3)4)14-8-6-13(11-17)7-9-14/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde?
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde has a molecular weight of 234.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde is sourced from PubChem (CID 103189615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).