[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine

C14H27N3O3 — CID 104565415

IUPAC[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
SMILESCCCCOCCOCCOCCn1ccnc1CN
InChIInChI=1S/C14H27N3O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-16-14(17)13-15/h4-5H,2-3,6-13,15H2,1H3
InChIKeyCQPDRARNLPQYHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.19
Rot. Bonds13

About [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine

[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine (PubChem CID 104565415) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
PubChem CID104565415
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
SMILESCCCCOCCOCCOCCn1ccnc1CN
InChIInChI=1S/C14H27N3O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-16-14(17)13-15/h4-5H,2-3,6-13,15H2,1H3
InChIKeyCQPDRARNLPQYHQ-UHFFFAOYSA-N
XLogP1.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 113427307
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
[1-(2-butoxyethyl)tetrazol-5-yl]methanamine
CID 62763678
[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine
CID 104567629
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine (CID 104565415) is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine is CCCCOCCOCCOCCn1ccnc1CN.
What is the InChIKey of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine?
The InChIKey is CQPDRARNLPQYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-16-14(17)13-15/h4-5H,2-3,6-13,15H2,1H3.
What are the key properties of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine?
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 1.19, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 104565415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).