3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide

C12H22N4O — CID 114167351

IUPAC3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-12(2,11(17)13-3)9-14-5-4-7-16-8-6-15-10-16/h6,8,10,14H,4-5,7,9H2,1-3H3,(H,13,17)
InChIKeyPQAWGXLZCJWNDC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.63
Rot. Bonds7

About 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide

3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide (PubChem CID 114167351) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
PubChem CID114167351
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-12(2,11(17)13-3)9-14-5-4-7-16-8-6-15-10-16/h6,8,10,14H,4-5,7,9H2,1-3H3,(H,13,17)
InChIKeyPQAWGXLZCJWNDC-UHFFFAOYSA-N
XLogP0.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide 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-ylpropylamino)-2-methylpropane-1,2-diol
CID 66186936
1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol
CID 66174257
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-(chloromethyl)-2-ethyl-N-(3-imidazol-1-ylpropyl)butan-1-amine
CID 106252494
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
4-(4-imidazol-1-ylbutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299659
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide (CID 114167351) is 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide?
The InChIKey is PQAWGXLZCJWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,11(17)13-3)9-14-5-4-7-16-8-6-15-10-16/h6,8,10,14H,4-5,7,9H2,1-3H3,(H,13,17).
What are the key properties of 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide?
3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).