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

C12H23NO2 — CID 129371205

IUPAC1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
SMILESC1COC[C@H](CNC[C@@H]2CCCOC2)C1
InChIInChI=1S/C12H23NO2/c1-3-11(9-14-5-1)7-13-8-12-4-2-6-15-10-12/h11-13H,1-10H2/t11-,12-/m0/s1
InChIKeyJPJAMCKGFKLNLO-RYUDHWBXSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds4

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

1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine (PubChem CID 129371205) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
PubChem CID129371205
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
SMILESC1COC[C@H](CNC[C@@H]2CCCOC2)C1
InChIInChI=1S/C12H23NO2/c1-3-11(9-14-5-1)7-13-8-12-4-2-6-15-10-12/h11-13H,1-10H2/t11-,12-/m0/s1
InChIKeyJPJAMCKGFKLNLO-RYUDHWBXSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
1-(1-ethylpyrrolidin-3-yl)-N-(oxan-3-ylmethyl)methanamine
CID 63740741
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63737020
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N-(oxan-3-ylmethyl)pent-3-yn-1-amine
CID 104806406
N-methylsulfanyl-1-(oxan-3-yl)methanamine
CID 123744693
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine?
The IUPAC name of 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine (CID 129371205) is 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine.
What is the SMILES notation for 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine?
The canonical SMILES for 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine is C1COC[C@H](CNC[C@@H]2CCCOC2)C1.
What is the InChIKey of 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine?
The InChIKey is JPJAMCKGFKLNLO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(9-14-5-1)7-13-8-12-4-2-6-15-10-12/h11-13H,1-10H2/t11-,12-/m0/s1.
What are the key properties of 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine?
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine is sourced from PubChem (CID 129371205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).