N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine

C13H26N2O — CID 104594958

IUPACN-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCC1(CNCC2CCCCO2)CCCCN1
InChIInChI=1S/C13H26N2O/c1-13(7-3-4-8-15-13)11-14-10-12-6-2-5-9-16-12/h12,14-15H,2-11H2,1H3
InChIKeyXSUVFYRYMIIMJQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds4

About N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 104594958) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID104594958
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCC1(CNCC2CCCCO2)CCCCN1
InChIInChI=1S/C13H26N2O/c1-13(7-3-4-8-15-13)11-14-10-12-6-2-5-9-16-12/h12,14-15H,2-11H2,1H3
InChIKeyXSUVFYRYMIIMJQ-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
1-[(oxan-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65109047
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114761731
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63142833
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-1-amine
CID 104594825
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine (CID 104594958) is N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine is CC1(CNCC2CCCCO2)CCCCN1.
What is the InChIKey of N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is XSUVFYRYMIIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(7-3-4-8-15-13)11-14-10-12-6-2-5-9-16-12/h12,14-15H,2-11H2,1H3.
What are the key properties of N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 104594958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).