N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine

C11H21N3O2 — CID 106554857

IUPACN-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCOC
InChIInChI=1S/C11H21N3O2/c1-3-16-9-4-5-12-11-13-6-7-14(11)8-10-15-2/h6-7H,3-5,8-10H2,1-2H3,(H,12,13)
InChIKeyQMBYCAKMFQUEQV-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.37
Rot. Bonds9

About N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine

N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106554857) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106554857
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCOC
InChIInChI=1S/C11H21N3O2/c1-3-16-9-4-5-12-11-13-6-7-14(11)8-10-15-2/h6-7H,3-5,8-10H2,1-2H3,(H,12,13)
InChIKeyQMBYCAKMFQUEQV-UHFFFAOYSA-N
XLogP1.37
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559064

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 106554857) is N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine is CCOCCCNc1nccn1CCOC.
What is the InChIKey of N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is QMBYCAKMFQUEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-16-9-4-5-12-11-13-6-7-14(11)8-10-15-2/h6-7H,3-5,8-10H2,1-2H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106554857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).