molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane

C8H17N — CID 144912446

IUPACmolecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C12CNCC1C2.[H][H]
InChIInChI=1S/C8H15N.H2/c1-6(2)8-3-7(8)4-9-5-8;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeySUIBVOSEBWQDHR-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.50
Rot. Bonds1

About molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane

molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 144912446) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Namemolecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID144912446
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Namemolecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C12CNCC1C2.[H][H]
InChIInChI=1S/C8H15N.H2/c1-6(2)8-3-7(8)4-9-5-8;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeySUIBVOSEBWQDHR-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 75481813
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705
(1S,6S)-6-(difluoromethyl)-3-azabicyclo[4.1.0]heptane
CID 98125628
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
8-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 142386523
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 118444596
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 144912446) is molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)C12CNCC1C2.[H][H].
What is the InChIKey of molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is SUIBVOSEBWQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.H2/c1-6(2)8-3-7(8)4-9-5-8;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 127.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 144912446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).