N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine

C11H21N3O — CID 107977818

IUPACN-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
SMILESCCNC(CCCOC)c1cn(C)cn1
InChIInChI=1S/C11H21N3O/c1-4-12-10(6-5-7-15-3)11-8-14(2)9-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyHLKGSTKHNORPAB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.50
Rot. Bonds7

About N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine

N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine (PubChem CID 107977818) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
PubChem CID107977818
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
SMILESCCNC(CCCOC)c1cn(C)cn1
InChIInChI=1S/C11H21N3O/c1-4-12-10(6-5-7-15-3)11-8-14(2)9-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyHLKGSTKHNORPAB-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methoxy-1-(1-methylimidazol-4-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-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977608
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine (CID 107977818) is N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine is CCNC(CCCOC)c1cn(C)cn1.
What is the InChIKey of N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine?
The InChIKey is HLKGSTKHNORPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-12-10(6-5-7-15-3)11-8-14(2)9-13-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine?
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine is sourced from PubChem (CID 107977818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).