[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine

C15H29N3O3 — CID 104567629

IUPAC[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine
SMILESCCCCOCCOCCOCCn1c(CN)cnc1C
InChIInChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)17-13-15(18)12-16/h13H,3-12,16H2,1-2H3
InChIKeyRXASNXDNGWODPP-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.50
Rot. Bonds13

About [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine

[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine (PubChem CID 104567629) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine
PubChem CID104567629
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine
SMILESCCCCOCCOCCOCCn1c(CN)cnc1C
InChIInChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)17-13-15(18)12-16/h13H,3-12,16H2,1-2H3
InChIKeyRXASNXDNGWODPP-UHFFFAOYSA-N
XLogP1.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.50
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

(3-hexyl-2-methylimidazol-4-yl)methanamine
CID 65172812
(3-dodecyl-2-methylimidazol-4-yl)methanamine
CID 65173229
[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methanamine
CID 65172656
3-(2-butoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172646
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
5-butyl-1-hexadecyl-2-methylimidazole
CID 158644637
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
3-(aminomethyl)-1-(2-butoxyethyl)-6-methylpyridin-2-one
CID 107073114
N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 65172293

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine (CID 104567629) is [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine is CCCCOCCOCCOCCn1c(CN)cnc1C.
What is the InChIKey of [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine?
The InChIKey is RXASNXDNGWODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)17-13-15(18)12-16/h13H,3-12,16H2,1-2H3.
What are the key properties of [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine?
[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 1.50, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 104567629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).