[1-(2-methoxyethyl)imidazol-4-yl]methanamine

C7H13N3O — CID 82467874

IUPAC[1-(2-methoxyethyl)imidazol-4-yl]methanamine
SMILESCOCCn1cnc(CN)c1
InChIInChI=1S/C7H13N3O/c1-11-3-2-10-5-7(4-8)9-6-10/h5-6H,2-4,8H2,1H3
InChIKeyKAKYEAGKVYSYKF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds4

About [1-(2-methoxyethyl)imidazol-4-yl]methanamine

[1-(2-methoxyethyl)imidazol-4-yl]methanamine (PubChem CID 82467874) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is [1-(2-methoxyethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethyl)imidazol-4-yl]methanamine
PubChem CID82467874
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name[1-(2-methoxyethyl)imidazol-4-yl]methanamine
SMILESCOCCn1cnc(CN)c1
InChIInChI=1S/C7H13N3O/c1-11-3-2-10-5-7(4-8)9-6-10/h5-6H,2-4,8H2,1H3
InChIKeyKAKYEAGKVYSYKF-UHFFFAOYSA-N
XLogP-0.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
4-fluoro-1-(2-methoxyethyl)imidazole
CID 170388204
(1-butylimidazol-4-yl)methanamine
CID 82467842
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
CID 106720892
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyethyl)imidazol-4-yl]methanamine (CID 82467874) is [1-(2-methoxyethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethyl)imidazol-4-yl]methanamine is COCCn1cnc(CN)c1.
What is the InChIKey of [1-(2-methoxyethyl)imidazol-4-yl]methanamine?
The InChIKey is KAKYEAGKVYSYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-11-3-2-10-5-7(4-8)9-6-10/h5-6H,2-4,8H2,1H3.
What are the key properties of [1-(2-methoxyethyl)imidazol-4-yl]methanamine?
[1-(2-methoxyethyl)imidazol-4-yl]methanamine has a molecular weight of 155.20 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82467874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).