N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

C11H19N3O — CID 65093739

IUPACN-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCOCCCc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-15-6-2-3-11-13-8-10(14-11)7-12-9-4-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyQLNLAFFGWFVXLQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds7

About N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 65093739) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID65093739
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCOCCCc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-15-6-2-3-11-13-8-10(14-11)7-12-9-4-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyQLNLAFFGWFVXLQ-UHFFFAOYSA-N
XLogP1.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine 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-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 65093739) is N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is COCCCc1ncc(CNC2CC2)[nH]1.
What is the InChIKey of N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QLNLAFFGWFVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-6-2-3-11-13-8-10(14-11)7-12-9-4-5-9/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 209.29 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65093739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).