N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine

C12H19N5 — CID 62223213

IUPACN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCn1ccnc1
InChIInChI=1S/C12H19N5/c1-2-3-13-10-12-15-5-7-17(12)9-8-16-6-4-14-11-16/h4-7,11,13H,2-3,8-10H2,1H3
InChIKeyFXSCTAAQOXDUGL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds7

About N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine

N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 62223213) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID62223213
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCn1ccnc1
InChIInChI=1S/C12H19N5/c1-2-3-13-10-12-15-5-7-17(12)9-8-16-6-4-14-11-16/h4-7,11,13H,2-3,8-10H2,1H3
InChIKeyFXSCTAAQOXDUGL-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-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

2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine (CID 62223213) is N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1CCn1ccnc1.
What is the InChIKey of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is FXSCTAAQOXDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-3-13-10-12-15-5-7-17(12)9-8-16-6-4-14-11-16/h4-7,11,13H,2-3,8-10H2,1H3.
What are the key properties of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine?
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62223213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).