(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol

C9H17NO — CID 11344136

IUPAC(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
SMILESCN(C)C1(O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C9H17NO/c1-10(2)9(11)7-5-3-4-6-8(7)9/h7-8,11H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyRDFPYBIWDIZDDF-JVHMLUBASA-N
MW155.24 g/mol
LogP1.06
Rot. Bonds1

About (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol

(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol (PubChem CID 11344136) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
PubChem CID11344136
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
SMILESCN(C)C1(O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C9H17NO/c1-10(2)9(11)7-5-3-4-6-8(7)9/h7-8,11H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyRDFPYBIWDIZDDF-JVHMLUBASA-N
XLogP1.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 123222610
7-(methylsulfonylmethyl)bicyclo[4.1.0]heptan-7-ol
CID 79331786
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 114762511
7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79332096
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
CID 51357758
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
pentacyclo[6.6.6.02,7.09,14.015,20]icosane-1,8-dicarbonyl chloride
CID 91740061
4-[cyclobutyl(methyl)amino]cyclohexan-1-ol
CID 114762700
3,3-dimethyltricyclo[4.4.0.01,5]decan-4-one
CID 130029675
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol (CID 11344136) is (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol is CN(C)C1(O)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is RDFPYBIWDIZDDF-JVHMLUBASA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)9(11)7-5-3-4-6-8(7)9/h7-8,11H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol?
(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 155.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 11344136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).