N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

C13H26N2O — CID 82836268

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCCN2C)O1
InChIInChI=1S/C13H26N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyMLTAETQYRNHQRX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 82836268) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID82836268
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCCN2C)O1
InChIInChI=1S/C13H26N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyMLTAETQYRNHQRX-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835069
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
1-(2-methylcyclopentyl)-N-[(1-methylpiperidin-2-yl)methyl]methanamine
CID 107417066
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
[2-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 82835373
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
3-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106120803
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (CID 82836268) is N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is CC1CCC(CNCC2CCCCN2C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is MLTAETQYRNHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 82836268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).