N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine

C14H23N3O2 — CID 106449495

IUPACN-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1cncc(CNC2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)10-18-5-6-19-14-9-15-7-13(17-14)8-16-12-3-4-12/h7,9,11-12,16H,3-6,8,10H2,1-2H3
InChIKeyIRVWNGXAXRSMPR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.78
Rot. Bonds9

About N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 106449495) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID106449495
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1cncc(CNC2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-11(2)10-18-5-6-19-14-9-15-7-13(17-14)8-16-12-3-4-12/h7,9,11-12,16H,3-6,8,10H2,1-2H3
InChIKeyIRVWNGXAXRSMPR-UHFFFAOYSA-N
XLogP1.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-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-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine (CID 106449495) is N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine is CC(C)COCCOc1cncc(CNC2CC2)n1.
What is the InChIKey of N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is IRVWNGXAXRSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)10-18-5-6-19-14-9-15-7-13(17-14)8-16-12-3-4-12/h7,9,11-12,16H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106449495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).