3-[3-imidazol-1-ylpropyl(propyl)amino]propanal

C12H21N3O — CID 166864860

IUPAC3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
SMILESCCCN(CCC=O)CCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-6-14(9-4-11-16)7-3-8-15-10-5-13-12-15/h5,10-12H,2-4,6-9H2,1H3
InChIKeyIIRNYIFOIHSPRV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds9

About 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal

3-[3-imidazol-1-ylpropyl(propyl)amino]propanal (PubChem CID 166864860) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal.

Molecular Properties

Compound Name3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
PubChem CID166864860
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
SMILESCCCN(CCC=O)CCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-2-6-14(9-4-11-16)7-3-8-15-10-5-13-12-15/h5,10-12H,2-4,6-9H2,1H3
InChIKeyIIRNYIFOIHSPRV-UHFFFAOYSA-N
XLogP1.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
CID 157021381
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
sodium;1-butylimidazole;bromide
CID 175480877
N-(8-heptadecan-9-yloxyoctyl)-N-(3-imidazol-1-ylpropyl)nonan-1-amine
CID 146179962
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544
carbonic acid;1-dodecylimidazole
CID 175596781
2-butyldecyl 8-[[8-(2-butyldecoxy)-7-methyl-8-oxooctyl]-(3-imidazol-1-ylpropyl)amino]-2-methyloctanoate
CID 171658814
N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
CID 162260133
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159

Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal?
The IUPAC name of 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal (CID 166864860) is 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal.
What is the SMILES notation for 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal?
The canonical SMILES for 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal is CCCN(CCC=O)CCCn1ccnc1.
What is the InChIKey of 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal?
The InChIKey is IIRNYIFOIHSPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-14(9-4-11-16)7-3-8-15-10-5-13-12-15/h5,10-12H,2-4,6-9H2,1H3.
What are the key properties of 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal?
3-[3-imidazol-1-ylpropyl(propyl)amino]propanal has a molecular weight of 223.32 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-imidazol-1-ylpropyl(propyl)amino]propanal is sourced from PubChem (CID 166864860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).