1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine

C16H29NO3 — CID 124860098

IUPAC1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESC1CC[C@H](CN(C[C@H]2CCCO2)C[C@H]2CCCO2)OC1
InChIInChI=1S/C16H29NO3/c1-2-8-18-14(5-1)11-17(12-15-6-3-9-19-15)13-16-7-4-10-20-16/h14-16H,1-13H2/t14-,15-,16-/m1/s1
InChIKeyWCVJJXADUGBBNI-BZUAXINKSA-N
MW283.41 g/mol
LogP2.22
Rot. Bonds6

About 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine

1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 124860098) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID124860098
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESC1CC[C@H](CN(C[C@H]2CCCO2)C[C@H]2CCCO2)OC1
InChIInChI=1S/C16H29NO3/c1-2-8-18-14(5-1)11-17(12-15-6-3-9-19-15)13-16-7-4-10-20-16/h14-16H,1-13H2/t14-,15-,16-/m1/s1
InChIKeyWCVJJXADUGBBNI-BZUAXINKSA-N
XLogP2.22
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
(2S)-2-(bromomethyl)oxane
CID 13022883
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine (CID 124860098) is 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine is C1CC[C@H](CN(C[C@H]2CCCO2)C[C@H]2CCCO2)OC1.
What is the InChIKey of 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is WCVJJXADUGBBNI-BZUAXINKSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-8-18-14(5-1)11-17(12-15-6-3-9-19-15)13-16-7-4-10-20-16/h14-16H,1-13H2/t14-,15-,16-/m1/s1.
What are the key properties of 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine?
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine has a molecular weight of 283.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 124860098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).