N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine

C12H24N4 — CID 107500626

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-3-6-15(7-4-2)9-12-10-16(8-5-13)11-14-12/h10-11H,3-9,13H2,1-2H3
InChIKeyWDCXBBOBXHAEEX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.46
Rot. Bonds8

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine (PubChem CID 107500626) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
PubChem CID107500626
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cn(CCN)cn1
InChIInChI=1S/C12H24N4/c1-3-6-15(7-4-2)9-12-10-16(8-5-13)11-14-12/h10-11H,3-9,13H2,1-2H3
InChIKeyWDCXBBOBXHAEEX-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-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 N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine (CID 107500626) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is WDCXBBOBXHAEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-6-15(7-4-2)9-12-10-16(8-5-13)11-14-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 107500626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).