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

C10H19NO — CID 163850509

IUPAC2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
SMILESCC1C2CN(CC(C)(C)O)C[C@@H]12
InChIInChI=1S/C10H19NO/c1-7-8-4-11(5-9(7)8)6-10(2,3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyOTYSQCBDPOALPG-MGURRDGZSA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds2

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

2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol (PubChem CID 163850509) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
PubChem CID163850509
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
SMILESCC1C2CN(CC(C)(C)O)C[C@@H]12
InChIInChI=1S/C10H19NO/c1-7-8-4-11(5-9(7)8)6-10(2,3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyOTYSQCBDPOALPG-MGURRDGZSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-2-ol
CID 123274995
1-[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131123599
1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol
CID 146329377
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996
2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
CID 104549809
1-(2-hydroxy-2-methylpropyl)-4,4-dimethylpyrrolidin-3-ol
CID 126992519
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
1-(2-hydroxy-2-methylpropyl)-N-(methoxymethyl)azetidine-3-carboxamide
CID 174921222
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-methylpropan-2-ol
CID 114499279
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol (CID 163850509) is 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol is CC1C2CN(CC(C)(C)O)C[C@@H]12.
What is the InChIKey of 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol?
The InChIKey is OTYSQCBDPOALPG-MGURRDGZSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-8-4-11(5-9(7)8)6-10(2,3)12/h7-9,12H,4-6H2,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol?
2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol is sourced from PubChem (CID 163850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).