(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane

C10H18N2O — CID 99987690

IUPAC(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESC1CO[C@H](CN2C[C@@H]3C[C@@H]2CN3)C1
InChIInChI=1S/C10H18N2O/c1-2-10(13-3-1)7-12-6-8-4-9(12)5-11-8/h8-11H,1-7H2/t8-,9+,10-/m0/s1
InChIKeyUDWMVQYZLYOPNH-AEJSXWLSSA-N
MW182.27 g/mol
LogP0.21
Rot. Bonds2

About (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane

(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 99987690) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID99987690
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESC1CO[C@H](CN2C[C@@H]3C[C@@H]2CN3)C1
InChIInChI=1S/C10H18N2O/c1-2-10(13-3-1)7-12-6-8-4-9(12)5-11-8/h8-11H,1-7H2/t8-,9+,10-/m0/s1
InChIKeyUDWMVQYZLYOPNH-AEJSXWLSSA-N
XLogP0.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812
3-cyclopropyl-7-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64871612
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
2-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-5-propylpiperazine
CID 64838798
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide
CID 137379990
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 83684198

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 99987690) is (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane is C1CO[C@H](CN2C[C@@H]3C[C@@H]2CN3)C1.
What is the InChIKey of (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is UDWMVQYZLYOPNH-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(13-3-1)7-12-6-8-4-9(12)5-11-8/h8-11H,1-7H2/t8-,9+,10-/m0/s1.
What are the key properties of (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane?
(1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 182.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-[[(2S)-oxolan-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 99987690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).