N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine

C13H20N2O2 — CID 81253710

IUPACN-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOCCOc1ccncc1CNC1CC1
InChIInChI=1S/C13H20N2O2/c1-2-16-7-8-17-13-5-6-14-9-11(13)10-15-12-3-4-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3
InChIKeyHAKIEFKPSCPUEQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds8

About N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81253710) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81253710
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOCCOc1ccncc1CNC1CC1
InChIInChI=1S/C13H20N2O2/c1-2-16-7-8-17-13-5-6-14-9-11(13)10-15-12-3-4-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3
InChIKeyHAKIEFKPSCPUEQ-UHFFFAOYSA-N
XLogP1.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(2-ethoxyethoxy)-3-pyridinyl]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

Related Compounds

N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250859
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250250
N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250179
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81253710) is N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine is CCOCCOc1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HAKIEFKPSCPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-16-7-8-17-13-5-6-14-9-11(13)10-15-12-3-4-12/h5-6,9,12,15H,2-4,7-8,10H2,1H3.
What are the key properties of N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 236.31 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81253710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).