N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine

C13H25N3 — CID 81016215

IUPACN,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1CC(C)C(C)CNC
InChIInChI=1S/C13H25N3/c1-5-7-16-8-6-15-13(16)9-11(2)12(3)10-14-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyNMZIHECVMYTKPY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.33
Rot. Bonds7

About N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine

N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine (PubChem CID 81016215) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
PubChem CID81016215
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1CC(C)C(C)CNC
InChIInChI=1S/C13H25N3/c1-5-7-16-8-6-15-13(16)9-11(2)12(3)10-14-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyNMZIHECVMYTKPY-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-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

Related Compounds

N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The IUPAC name of N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine (CID 81016215) is N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine is CCCn1ccnc1CC(C)C(C)CNC.
What is the InChIKey of N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine?
The InChIKey is NMZIHECVMYTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-16-8-6-15-13(16)9-11(2)12(3)10-14-4/h6,8,11-12,14H,5,7,9-10H2,1-4H3.
What are the key properties of N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine?
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 81016215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).