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

C17H28N2O — CID 106206102

IUPACN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(COCCC2CCC2)n1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-8-5-9-16(19-15)13-20-11-10-14-6-4-7-14/h5,8-9,14,18H,4,6-7,10-13H2,1-3H3
InChIKeyLBRVRIQIHOMRGV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.68
Rot. Bonds7

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

N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106206102) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106206102
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(COCCC2CCC2)n1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-8-5-9-16(19-15)13-20-11-10-14-6-4-7-14/h5,8-9,14,18H,4,6-7,10-13H2,1-3H3
InChIKeyLBRVRIQIHOMRGV-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.68
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]cyclopropanamine
CID 106206138
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[6-[[cyclobutylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906442
N-[(6-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289891
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908103
2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907868

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106206102) is N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(COCCC2CCC2)n1.
What is the InChIKey of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LBRVRIQIHOMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-12-15-8-5-9-16(19-15)13-20-11-10-14-6-4-7-14/h5,8-9,14,18H,4,6-7,10-13H2,1-3H3.
What are the key properties of N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.68, 7 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]-2-methylpropan-2-amine is sourced from PubChem (CID 106206102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).