bis(oxan-3-yl)methanamine

C11H21NO2 — CID 107136437

IUPACbis(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1CCCOC1
InChIInChI=1S/C11H21NO2/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h9-11H,1-8,12H2
InChIKeyOSUUPPBJJAPHAO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.17
Rot. Bonds2

About bis(oxan-3-yl)methanamine

bis(oxan-3-yl)methanamine (PubChem CID 107136437) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is bis(oxan-3-yl)methanamine.

Molecular Properties

Compound Namebis(oxan-3-yl)methanamine
PubChem CID107136437
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebis(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1CCCOC1
InChIInChI=1S/C11H21NO2/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h9-11H,1-8,12H2
InChIKeyOSUUPPBJJAPHAO-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
ethane;3-propan-2-yloxane
CID 143985480
2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107136882
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
[2-methyl-1-(oxan-3-yl)prop-2-enyl]hydrazine
CID 105230074

Frequently Asked Questions

What is the IUPAC name of bis(oxan-3-yl)methanamine?
The IUPAC name of bis(oxan-3-yl)methanamine (CID 107136437) is bis(oxan-3-yl)methanamine.
What is the SMILES notation for bis(oxan-3-yl)methanamine?
The canonical SMILES for bis(oxan-3-yl)methanamine is NC(C1CCCOC1)C1CCCOC1.
What is the InChIKey of bis(oxan-3-yl)methanamine?
The InChIKey is OSUUPPBJJAPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h9-11H,1-8,12H2.
What are the key properties of bis(oxan-3-yl)methanamine?
bis(oxan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxan-3-yl)methanamine is sourced from PubChem (CID 107136437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).