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

C13H25N3O3 — CID 106581208

IUPACN-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCOCCCCNc1nccn1CCOC
InChIInChI=1S/C13H25N3O3/c1-17-10-8-16-7-6-15-13(16)14-5-3-4-9-19-12-11-18-2/h6-7H,3-5,8-12H2,1-2H3,(H,14,15)
InChIKeyCCZMOLMCMWBAGP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.38
Rot. Bonds12

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

N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106581208) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106581208
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCOCCCCNc1nccn1CCOC
InChIInChI=1S/C13H25N3O3/c1-17-10-8-16-7-6-15-13(16)14-5-3-4-9-19-12-11-18-2/h6-7H,3-5,8-12H2,1-2H3,(H,14,15)
InChIKeyCCZMOLMCMWBAGP-UHFFFAOYSA-N
XLogP1.38
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.38
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-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[2-(2-methoxyethoxy)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106564442
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
N-(2-cyclohexyloxyethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106573338
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine (CID 106581208) is N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine is COCCOCCCCNc1nccn1CCOC.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is CCZMOLMCMWBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-17-10-8-16-7-6-15-13(16)14-5-3-4-9-19-12-11-18-2/h6-7H,3-5,8-12H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine?
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 1.38, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106581208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).