N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine

C9H17N3O — CID 106554838

IUPACN-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
SMILESCOCCNc1nccn1C(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)12-6-4-10-9(12)11-5-7-13-3/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeyPRRHFONITRTCSS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.52
Rot. Bonds5

About N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine

N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106554838) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106554838
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
SMILESCOCCNc1nccn1C(C)C
InChIInChI=1S/C9H17N3O/c1-8(2)12-6-4-10-9(12)11-5-7-13-3/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeyPRRHFONITRTCSS-UHFFFAOYSA-N
XLogP1.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine (CID 106554838) is N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine is COCCNc1nccn1C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is PRRHFONITRTCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)12-6-4-10-9(12)11-5-7-13-3/h4,6,8H,5,7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine?
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).