(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane

C10H19N — CID 137467561

IUPAC(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
SMILESCC(C)N1CC[C@@H]2CCC2C1
InChIInChI=1S/C10H19N/c1-8(2)11-6-5-9-3-4-10(9)7-11/h8-10H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyBXTGGEVLLUYPSC-RGURZIINSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds1

About (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane

(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane (PubChem CID 137467561) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
PubChem CID137467561
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
SMILESCC(C)N1CC[C@@H]2CCC2C1
InChIInChI=1S/C10H19N/c1-8(2)11-6-5-9-3-4-10(9)7-11/h8-10H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyBXTGGEVLLUYPSC-RGURZIINSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
2-methyltellanyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 171800016
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 156551467
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
CID 176594342
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383

Frequently Asked Questions

What is the IUPAC name of (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane?
The IUPAC name of (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane (CID 137467561) is (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane.
What is the SMILES notation for (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane?
The canonical SMILES for (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane is CC(C)N1CC[C@@H]2CCC2C1.
What is the InChIKey of (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane?
The InChIKey is BXTGGEVLLUYPSC-RGURZIINSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)11-6-5-9-3-4-10(9)7-11/h8-10H,3-7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane?
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane has a molecular weight of 153.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane is sourced from PubChem (CID 137467561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).