N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine

C14H23N3O — CID 115249662

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
SMILESCC(C)(CNCC1(CN)COC1)c1cccnc1
InChIInChI=1S/C14H23N3O/c1-13(2,12-4-3-5-16-6-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,7-11,15H2,1-2H3
InChIKeyNWPLDESYLGMYEG-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine (PubChem CID 115249662) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
PubChem CID115249662
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
SMILESCC(C)(CNCC1(CN)COC1)c1cccnc1
InChIInChI=1S/C14H23N3O/c1-13(2,12-4-3-5-16-6-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,7-11,15H2,1-2H3
InChIKeyNWPLDESYLGMYEG-UHFFFAOYSA-N
XLogP0.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
N-[[3-(aminomethyl)oxetan-3-yl]methyl]pyridin-3-amine
CID 115249254
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methylpyridin-3-amine
CID 115249359
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
N-[[3-(aminomethyl)oxetan-3-yl]methyl]pyridin-2-amine
CID 115249253
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine (CID 115249662) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine is CC(C)(CNCC1(CN)COC1)c1cccnc1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine?
The InChIKey is NWPLDESYLGMYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2,12-4-3-5-16-6-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,7-11,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115249662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).