1-(3-ethoxypropyl)-N-methylimidazol-2-amine

C9H17N3O — CID 106555069

IUPAC1-(3-ethoxypropyl)-N-methylimidazol-2-amine
SMILESCCOCCCn1ccnc1NC
InChIInChI=1S/C9H17N3O/c1-3-13-8-4-6-12-7-5-11-9(12)10-2/h5,7H,3-4,6,8H2,1-2H3,(H,10,11)
InChIKeyHSZFFXZNUNLKRG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.35
Rot. Bonds6

About 1-(3-ethoxypropyl)-N-methylimidazol-2-amine

1-(3-ethoxypropyl)-N-methylimidazol-2-amine (PubChem CID 106555069) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-methylimidazol-2-amine
PubChem CID106555069
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(3-ethoxypropyl)-N-methylimidazol-2-amine
SMILESCCOCCCn1ccnc1NC
InChIInChI=1S/C9H17N3O/c1-3-13-8-4-6-12-7-5-11-9(12)10-2/h5,7H,3-4,6,8H2,1-2H3,(H,10,11)
InChIKeyHSZFFXZNUNLKRG-UHFFFAOYSA-N
XLogP1.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.35
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

1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
CID 106575856
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-methylimidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-methylimidazol-2-amine (CID 106555069) is 1-(3-ethoxypropyl)-N-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-methylimidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-methylimidazol-2-amine is CCOCCCn1ccnc1NC.
What is the InChIKey of 1-(3-ethoxypropyl)-N-methylimidazol-2-amine?
The InChIKey is HSZFFXZNUNLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-13-8-4-6-12-7-5-11-9(12)10-2/h5,7H,3-4,6,8H2,1-2H3,(H,10,11).
What are the key properties of 1-(3-ethoxypropyl)-N-methylimidazol-2-amine?
1-(3-ethoxypropyl)-N-methylimidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-methylimidazol-2-amine is sourced from PubChem (CID 106555069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).