N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine

C15H28N2O — CID 116874978

IUPACN-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
SMILESCNCC1(C2(C3CCN(C)CC3)COC2)CCC1
InChIInChI=1S/C15H28N2O/c1-16-10-14(6-3-7-14)15(11-18-12-15)13-4-8-17(2)9-5-13/h13,16H,3-12H2,1-2H3
InChIKeyCMKAJDRSAKHBCA-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine

N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine (PubChem CID 116874978) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
PubChem CID116874978
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
SMILESCNCC1(C2(C3CCN(C)CC3)COC2)CCC1
InChIInChI=1S/C15H28N2O/c1-16-10-14(6-3-7-14)15(11-18-12-15)13-4-8-17(2)9-5-13/h13,16H,3-12H2,1-2H3
InChIKeyCMKAJDRSAKHBCA-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Cyclobutyl-2-methoxyethyl)piperidine
CID 84066707
3-(1-Cyclobutyl-2-methoxyethyl)piperidine
CID 84066711
3-(1-Cyclobutyl-3-methoxypropyl)piperidine
CID 84067995
2-Methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 106824865
[3-(1-Methylpiperidin-3-yl)oxetan-3-yl]methanamine
CID 116829685
N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
CID 116869324
N-methyl-1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine
CID 116869325
2-[3-(1-Methylpiperidin-4-yl)oxetan-3-yl]ethanamine
CID 116869625
2-[3-(1-Methylpiperidin-3-yl)oxetan-3-yl]ethanamine
CID 116869626
N-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]ethanamine
CID 116869716
N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
CID 116869717
2-[3-(1-Methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869806

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine (CID 116874978) is N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine is CNCC1(C2(C3CCN(C)CC3)COC2)CCC1.
What is the InChIKey of N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine?
The InChIKey is CMKAJDRSAKHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-10-14(6-3-7-14)15(11-18-12-15)13-4-8-17(2)9-5-13/h13,16H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine?
N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116874978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).