1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine

C14H27N3O3 — CID 106581197

IUPAC1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCCCOCCOC
InChIInChI=1S/C14H27N3O3/c1-18-10-5-6-15-14-16-7-9-17(14)8-3-4-11-20-13-12-19-2/h7,9H,3-6,8,10-13H2,1-2H3,(H,15,16)
InChIKeyXACITSPPQKBNHR-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.77
Rot. Bonds13

About 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106581197) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106581197
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCCCOCCOC
InChIInChI=1S/C14H27N3O3/c1-18-10-5-6-15-14-16-7-9-17(14)8-3-4-11-20-13-12-19-2/h7,9H,3-6,8,10-13H2,1-2H3,(H,15,16)
InChIKeyXACITSPPQKBNHR-UHFFFAOYSA-N
XLogP1.77
TPSA57.54 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 ≤ 51.77
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

N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106581197) is 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1CCCCOCCOC.
What is the InChIKey of 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is XACITSPPQKBNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-18-10-5-6-15-14-16-7-9-17(14)8-3-4-11-20-13-12-19-2/h7,9H,3-6,8,10-13H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.77, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106581197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).