2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine

C12H23N3 — CID 79620191

IUPAC2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1ccnc1C
InChIInChI=1S/C12H23N3/c1-5-6-13-9-12(3,4)10-15-8-7-14-11(15)2/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyYPVQGNSLBDAIDC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.22
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine (PubChem CID 79620191) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
PubChem CID79620191
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1ccnc1C
InChIInChI=1S/C12H23N3/c1-5-6-13-9-12(3,4)10-15-8-7-14-11(15)2/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyYPVQGNSLBDAIDC-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine (CID 79620191) is 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)Cn1ccnc1C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine?
The InChIKey is YPVQGNSLBDAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-13-9-12(3,4)10-15-8-7-14-11(15)2/h7-8,13H,5-6,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79620191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).