2-methyl-3-(1-propylimidazol-2-yl)propanal

C10H16N2O — CID 64663884

IUPAC2-methyl-3-(1-propylimidazol-2-yl)propanal
SMILESCCCn1ccnc1CC(C)C=O
InChIInChI=1S/C10H16N2O/c1-3-5-12-6-4-11-10(12)7-9(2)8-13/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyCNBNMBHNOGRCLZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds5

About 2-methyl-3-(1-propylimidazol-2-yl)propanal

2-methyl-3-(1-propylimidazol-2-yl)propanal (PubChem CID 64663884) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-3-(1-propylimidazol-2-yl)propanal.

Molecular Properties

Compound Name2-methyl-3-(1-propylimidazol-2-yl)propanal
PubChem CID64663884
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-3-(1-propylimidazol-2-yl)propanal
SMILESCCCn1ccnc1CC(C)C=O
InChIInChI=1S/C10H16N2O/c1-3-5-12-6-4-11-10(12)7-9(2)8-13/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyCNBNMBHNOGRCLZ-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
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-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propylimidazol-2-yl)propanal?
The IUPAC name of 2-methyl-3-(1-propylimidazol-2-yl)propanal (CID 64663884) is 2-methyl-3-(1-propylimidazol-2-yl)propanal.
What is the SMILES notation for 2-methyl-3-(1-propylimidazol-2-yl)propanal?
The canonical SMILES for 2-methyl-3-(1-propylimidazol-2-yl)propanal is CCCn1ccnc1CC(C)C=O.
What is the InChIKey of 2-methyl-3-(1-propylimidazol-2-yl)propanal?
The InChIKey is CNBNMBHNOGRCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-12-6-4-11-10(12)7-9(2)8-13/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-3-(1-propylimidazol-2-yl)propanal?
2-methyl-3-(1-propylimidazol-2-yl)propanal has a molecular weight of 180.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propylimidazol-2-yl)propanal is sourced from PubChem (CID 64663884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).