1-butyl-N-(2-ethoxyethyl)imidazol-2-amine

C11H21N3O — CID 106554086

IUPAC1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCCOCC
InChIInChI=1S/C11H21N3O/c1-3-5-8-14-9-6-12-11(14)13-7-10-15-4-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,12,13)
InChIKeyJJWGPZSKYGEDGI-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.13
Rot. Bonds8

About 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine

1-butyl-N-(2-ethoxyethyl)imidazol-2-amine (PubChem CID 106554086) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
PubChem CID106554086
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCCOCC
InChIInChI=1S/C11H21N3O/c1-3-5-8-14-9-6-12-11(14)13-7-10-15-4-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,12,13)
InChIKeyJJWGPZSKYGEDGI-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine (CID 106554086) is 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine is CCCCn1ccnc1NCCOCC.
What is the InChIKey of 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine?
The InChIKey is JJWGPZSKYGEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-8-14-9-6-12-11(14)13-7-10-15-4-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,12,13).
What are the key properties of 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine?
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-ethoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106554086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).