N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine

C16H26N2O — CID 106206173

IUPACN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCC2CCC2)n1
InChIInChI=1S/C16H26N2O/c1-2-10-17-12-15-7-4-8-16(18-15)13-19-11-9-14-5-3-6-14/h4,7-8,14,17H,2-3,5-6,9-13H2,1H3
InChIKeyRWVZCOQUTGEUJU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds9

About N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106206173) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106206173
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCC2CCC2)n1
InChIInChI=1S/C16H26N2O/c1-2-10-17-12-15-7-4-8-16(18-15)13-19-11-9-14-5-3-6-14/h4,7-8,14,17H,2-3,5-6,9-13H2,1H3
InChIKeyRWVZCOQUTGEUJU-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
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]cyclopropanamine
CID 106206138
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106206080
2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 169173385
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106206173) is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COCCC2CCC2)n1.
What is the InChIKey of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is RWVZCOQUTGEUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-17-12-15-7-4-8-16(18-15)13-19-11-9-14-5-3-6-14/h4,7-8,14,17H,2-3,5-6,9-13H2,1H3.
What are the key properties of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.29, 9 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]propan-1-amine is sourced from PubChem (CID 106206173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).