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

C12H23NO2 — CID 82835456

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCCO2)O1
InChIInChI=1S/C12H23NO2/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h10-13H,2-9H2,1H3
InChIKeyRMTJTPFFPRVDAR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds4

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

N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 82835456) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID82835456
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCCO2)O1
InChIInChI=1S/C12H23NO2/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h10-13H,2-9H2,1H3
InChIKeyRMTJTPFFPRVDAR-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
[2-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 82835373
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine (CID 82835456) is N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine is CC1CCC(CNCC2CCCCO2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is RMTJTPFFPRVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h10-13H,2-9H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 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-(oxan-2-yl)methanamine is sourced from PubChem (CID 82835456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).