(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine

C8H16N2O — CID 167428243

IUPAC(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine
SMILESCC(C)NN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H16N2O/c1-6(2)9-10-4-8-3-7(10)5-11-8/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyXECCGPOMKFVZEA-YUMQZZPRSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds2

About (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine

(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine (PubChem CID 167428243) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine.

Molecular Properties

Compound Name(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine
PubChem CID167428243
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine
SMILESCC(C)NN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C8H16N2O/c1-6(2)9-10-4-8-3-7(10)5-11-8/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyXECCGPOMKFVZEA-YUMQZZPRSA-N
XLogP0.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanamine
CID 170122043
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propane-2-thiol
CID 175628714
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-sulfanylpropan-1-one
CID 130834901
5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 90758578
(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 59134770
N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine
CID 135134845
(1S,4S)-5-(4-methylpent-2-ynyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176599676
methyl (1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 178070427
(2R)-2-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butanoic acid
CID 129321933
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide
CID 163271749
3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)butanehydrazide
CID 130979675

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine?
The IUPAC name of (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine (CID 167428243) is (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine.
What is the SMILES notation for (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine?
The canonical SMILES for (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine is CC(C)NN1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine?
The InChIKey is XECCGPOMKFVZEA-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)9-10-4-8-3-7(10)5-11-8/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine?
(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine has a molecular weight of 156.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine is sourced from PubChem (CID 167428243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).