N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine

C15H24N2O — CID 62287174

IUPACN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1OC1CCC1
InChIInChI=1S/C15H24N2O/c1-4-8-16-10-14-11(2)9-12(3)17-15(14)18-13-6-5-7-13/h9,13,16H,4-8,10H2,1-3H3
InChIKeyBFKBTQAJUMQLOB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine

N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 62287174) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID62287174
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1OC1CCC1
InChIInChI=1S/C15H24N2O/c1-4-8-16-10-14-11(2)9-12(3)17-15(14)18-13-6-5-7-13/h9,13,16H,4-8,10H2,1-3H3
InChIKeyBFKBTQAJUMQLOB-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
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-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 62287173
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
CID 62292298
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62292299
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
N-[[4,6-dimethyl-2-(3-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290593
N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62322089
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 61177850
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62286638

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine (CID 62287174) is N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1OC1CCC1.
What is the InChIKey of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is BFKBTQAJUMQLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-8-16-10-14-11(2)9-12(3)17-15(14)18-13-6-5-7-13/h9,13,16H,4-8,10H2,1-3H3.
What are the key properties of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62287174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).