3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol

C9H17NO — CID 144866555

IUPAC3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol
SMILESCN(C)CC1(O)CC2CC2C1
InChIInChI=1S/C9H17NO/c1-10(2)6-9(11)4-7-3-8(7)5-9/h7-8,11H,3-6H2,1-2H3
InChIKeyHGBNPGMVUFXCEH-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds2

About 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol

3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol (PubChem CID 144866555) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol
PubChem CID144866555
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol
SMILESCN(C)CC1(O)CC2CC2C1
InChIInChI=1S/C9H17NO/c1-10(2)6-9(11)4-7-3-8(7)5-9/h7-8,11H,3-6H2,1-2H3
InChIKeyHGBNPGMVUFXCEH-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol (CID 144866555) is 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol is CN(C)CC1(O)CC2CC2C1.
What is the InChIKey of 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol?
The InChIKey is HGBNPGMVUFXCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)6-9(11)4-7-3-8(7)5-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol?
3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 144866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).