(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol

C8H15NO — CID 163526675

IUPAC(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)N1C[C@@H]2C(O)[C@@H]2C1
InChIInChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyDPJHXPYARCRNDZ-DHBOJHSNSA-N
MW141.21 g/mol
LogP0.32
Rot. Bonds1

About (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol

(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol (PubChem CID 163526675) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
PubChem CID163526675
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)N1C[C@@H]2C(O)[C@@H]2C1
InChIInChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyDPJHXPYARCRNDZ-DHBOJHSNSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
1-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)hydrazine
CID 170035370
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
1-propan-2-yl-3-propan-2-yloxyazetidine
CID 59470900
2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67401281
4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
CID 130191633
N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 58912879
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The IUPAC name of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol (CID 163526675) is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol is CC(C)N1C[C@@H]2C(O)[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
The InChIKey is DPJHXPYARCRNDZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)9-3-6-7(4-9)8(6)10/h5-8,10H,3-4H2,1-2H3/t6-,7+,8?.
What are the key properties of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol?
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol has a molecular weight of 141.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 163526675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).