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

C11H21NO2 — CID 81330041

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCO2)O1
InChIInChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h9-12H,2-8H2,1H3
InChIKeyGFXZILQXRAXCOL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds4

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

N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 81330041) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID81330041
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1CCC(CNCC2CCCO2)O1
InChIInChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h9-12H,2-8H2,1H3
InChIKeyGFXZILQXRAXCOL-UHFFFAOYSA-N
XLogP1.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
[2-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 82835373
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 81330041) is N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine is CC1CCC(CNCC2CCCO2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is GFXZILQXRAXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h9-12H,2-8H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.32, 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-(oxolan-2-yl)methanamine is sourced from PubChem (CID 81330041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).