1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine

C11H21NO2 — CID 93449844

IUPAC1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESC1COC[C@@H](CNC[C@@H]2CCCO2)C1
InChIInChI=1S/C11H21NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h10-12H,1-9H2/t10-,11+/m1/s1
InChIKeyVJHFMJLPBAASNG-MNOVXSKESA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds4

About 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine

1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine (PubChem CID 93449844) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
PubChem CID93449844
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESC1COC[C@@H](CNC[C@@H]2CCCO2)C1
InChIInChI=1S/C11H21NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h10-12H,1-9H2/t10-,11+/m1/s1
InChIKeyVJHFMJLPBAASNG-MNOVXSKESA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine (CID 93449844) is 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine is C1COC[C@@H](CNC[C@@H]2CCCO2)C1.
What is the InChIKey of 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The InChIKey is VJHFMJLPBAASNG-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h10-12H,1-9H2/t10-,11+/m1/s1.
What are the key properties of 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 93449844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).