N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine

C11H22N4O — CID 138722818

IUPACN'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine
SMILESCOCCn1ccnc1CNCCCCN
InChIInChI=1S/C11H22N4O/c1-16-9-8-15-7-6-14-11(15)10-13-5-3-2-4-12/h6-7,13H,2-5,8-10,12H2,1H3
InChIKeyQBJZDBHQFOEYFM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds9

About N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine

N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine (PubChem CID 138722818) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine
PubChem CID138722818
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine
SMILESCOCCn1ccnc1CNCCCCN
InChIInChI=1S/C11H22N4O/c1-16-9-8-15-7-6-14-11(15)10-13-5-3-2-4-12/h6-7,13H,2-5,8-10,12H2,1H3
InChIKeyQBJZDBHQFOEYFM-UHFFFAOYSA-N
XLogP0.36
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine 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-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine?
The IUPAC name of N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine (CID 138722818) is N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine?
The canonical SMILES for N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine is COCCn1ccnc1CNCCCCN.
What is the InChIKey of N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine?
The InChIKey is QBJZDBHQFOEYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-16-9-8-15-7-6-14-11(15)10-13-5-3-2-4-12/h6-7,13H,2-5,8-10,12H2,1H3.
What are the key properties of N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine?
N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]butane-1,4-diamine is sourced from PubChem (CID 138722818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).