(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol

C10H19NO — CID 170368329

IUPAC(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol
SMILESCC(C)C1(O)C(C)C2CCN[C@@H]21
InChIInChI=1S/C10H19NO/c1-6(2)10(12)7(3)8-4-5-11-9(8)10/h6-9,11-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyASSAOWDLKHTNGS-HTEYAMCKSA-N
MW169.27 g/mol
LogP1.00
Rot. Bonds1

About (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol

(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol (PubChem CID 170368329) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol.

Molecular Properties

Compound Name(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol
PubChem CID170368329
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol
SMILESCC(C)C1(O)C(C)C2CCN[C@@H]21
InChIInChI=1S/C10H19NO/c1-6(2)10(12)7(3)8-4-5-11-9(8)10/h6-9,11-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyASSAOWDLKHTNGS-HTEYAMCKSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83815193
2-methyl-4-propan-2-ylpiperidin-4-ol
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CID 170098111
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
CID 145215661
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 176800681
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
CID 167138391
6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
CID 130529084
2-(trideuteriomethyl)azetidine
CID 126456233
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol
CID 20741954
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol?
The IUPAC name of (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol (CID 170368329) is (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol.
What is the SMILES notation for (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol?
The canonical SMILES for (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol is CC(C)C1(O)C(C)C2CCN[C@@H]21.
What is the InChIKey of (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol?
The InChIKey is ASSAOWDLKHTNGS-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H19NO/c1-6(2)10(12)7(3)8-4-5-11-9(8)10/h6-9,11-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol?
(1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol has a molecular weight of 169.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methyl-7-propan-2-yl-2-azabicyclo[3.2.0]heptan-7-ol is sourced from PubChem (CID 170368329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).