1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine

C10H19N3O — CID 114706503

IUPAC1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
SMILESCOCCC(C)n1cncc1C(C)N
InChIInChI=1S/C10H19N3O/c1-8(4-5-14-3)13-7-12-6-10(13)9(2)11/h6-9H,4-5,11H2,1-3H3
InChIKeyBOIWETIZXXYYSB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds5

About 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine

1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 114706503) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
PubChem CID114706503
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
SMILESCOCCC(C)n1cncc1C(C)N
InChIInChI=1S/C10H19N3O/c1-8(4-5-14-3)13-7-12-6-10(13)9(2)11/h6-9H,4-5,11H2,1-3H3
InChIKeyBOIWETIZXXYYSB-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
tert-butyl N-[1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethyl]carbamate
CID 114706497
1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 114705428
(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
CID 104942948
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
3-methyl-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]butan-1-amine
CID 114707577
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine (CID 114706503) is 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine is COCCC(C)n1cncc1C(C)N.
What is the InChIKey of 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is BOIWETIZXXYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(4-5-14-3)13-7-12-6-10(13)9(2)11/h6-9H,4-5,11H2,1-3H3.
What are the key properties of 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine?
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114706503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).