1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine

C13H25N3O — CID 106554767

IUPAC1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NC(C)(C)CC
InChIInChI=1S/C13H25N3O/c1-5-13(3,4)15-12-14-8-10-16(12)9-7-11-17-6-2/h8,10H,5-7,9,11H2,1-4H3,(H,14,15)
InChIKeyCFPZYCJTKAKPOM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.91
Rot. Bonds8

About 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine (PubChem CID 106554767) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
PubChem CID106554767
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NC(C)(C)CC
InChIInChI=1S/C13H25N3O/c1-5-13(3,4)15-12-14-8-10-16(12)9-7-11-17-6-2/h8,10H,5-7,9,11H2,1-4H3,(H,14,15)
InChIKeyCFPZYCJTKAKPOM-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.91
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-methylimidazol-2-amine
CID 106555069
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559064
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
CID 106566481
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine (CID 106554767) is 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine is CCOCCCn1ccnc1NC(C)(C)CC.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine?
The InChIKey is CFPZYCJTKAKPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13(3,4)15-12-14-8-10-16(12)9-7-11-17-6-2/h8,10H,5-7,9,11H2,1-4H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106554767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).