N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C13H23N3O — CID 106564748

IUPACN-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C13H23N3O/c1-10-9-16(6-5-7-17-4)12(14-10)15-11-8-13(11,2)3/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyACDHIMHZWYFUBG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.44
Rot. Bonds6

About N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106564748) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106564748
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C13H23N3O/c1-10-9-16(6-5-7-17-4)12(14-10)15-11-8-13(11,2)3/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyACDHIMHZWYFUBG-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106564748) is N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is ACDHIMHZWYFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-9-16(6-5-7-17-4)12(14-10)15-11-8-13(11,2)3/h9,11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).