N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine

C11H21N3O — CID 66132621

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cncn1CC
InChIInChI=1S/C11H21N3O/c1-4-10(8-15-3)13-7-11-6-12-9-14(11)5-2/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyLBPSLUUVDSIWEP-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine

N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine (PubChem CID 66132621) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
PubChem CID66132621
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cncn1CC
InChIInChI=1S/C11H21N3O/c1-4-10(8-15-3)13-7-11-6-12-9-14(11)5-2/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyLBPSLUUVDSIWEP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-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-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine (CID 66132621) is N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine is CCC(COC)NCc1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine?
The InChIKey is LBPSLUUVDSIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-10(8-15-3)13-7-11-6-12-9-14(11)5-2/h6,9-10,13H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 66132621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).