N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine

C15H24N2O2 — CID 81250179

IUPACN-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCOCCOc1cc(C)ncc1CNC1CC1
InChIInChI=1S/C15H24N2O2/c1-3-6-18-7-8-19-15-9-12(2)16-10-13(15)11-17-14-4-5-14/h9-10,14,17H,3-8,11H2,1-2H3
InChIKeySXPAXLYATIIWIH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds9

About N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250179) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250179
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCOCCOc1cc(C)ncc1CNC1CC1
InChIInChI=1S/C15H24N2O2/c1-3-6-18-7-8-19-15-9-12(2)16-10-13(15)11-17-14-4-5-14/h9-10,14,17H,3-8,11H2,1-2H3
InChIKeySXPAXLYATIIWIH-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 103285460
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[6-methyl-4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253535
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
5-[(cyclopropylamino)methyl]-N,N-diethyl-2-methylpyridin-4-amine
CID 81248791
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81250179) is N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine is CCCOCCOc1cc(C)ncc1CNC1CC1.
What is the InChIKey of N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SXPAXLYATIIWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-6-18-7-8-19-15-9-12(2)16-10-13(15)11-17-14-4-5-14/h9-10,14,17H,3-8,11H2,1-2H3.
What are the key properties of N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 264.37 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).