N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine

C14H28N4O — CID 106570399

IUPACN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCOCCCn1cc(C)nc1NCCN(C)CC
InChIInChI=1S/C14H28N4O/c1-5-17(4)10-8-15-14-16-13(3)12-18(14)9-7-11-19-6-2/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyRERRUSFVLZHROQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.98
Rot. Bonds10

About N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine

N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 106570399) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID106570399
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCOCCCn1cc(C)nc1NCCN(C)CC
InChIInChI=1S/C14H28N4O/c1-5-17(4)10-8-15-14-16-13(3)12-18(14)9-7-11-19-6-2/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyRERRUSFVLZHROQ-UHFFFAOYSA-N
XLogP1.98
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-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-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine (CID 106570399) is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine is CCOCCCn1cc(C)nc1NCCN(C)CC.
What is the InChIKey of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is RERRUSFVLZHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-17(4)10-8-15-14-16-13(3)12-18(14)9-7-11-19-6-2/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine?
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106570399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).