N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine

C16H24N2O — CID 106206138

IUPACN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(COCCC2CCC2)c1
InChIInChI=1S/C16H24N2O/c1-3-13(4-1)9-10-19-12-16-6-2-5-15(18-16)11-17-14-7-8-14/h2,5-6,13-14,17H,1,3-4,7-12H2
InChIKeyQBODRKNHRWNNTD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.04
Rot. Bonds8

About N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106206138) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106206138
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(COCCC2CCC2)c1
InChIInChI=1S/C16H24N2O/c1-3-13(4-1)9-10-19-12-16-6-2-5-15(18-16)11-17-14-7-8-14/h2,5-6,13-14,17H,1,3-4,7-12H2
InChIKeyQBODRKNHRWNNTD-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106206102
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908103
N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
CID 106906810

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (CID 106206138) is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)nc(COCCC2CCC2)c1.
What is the InChIKey of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is QBODRKNHRWNNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13(4-1)9-10-19-12-16-6-2-5-15(18-16)11-17-14-7-8-14/h2,5-6,13-14,17H,1,3-4,7-12H2.
What are the key properties of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106206138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).