3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol

C10H19NO — CID 130708552

IUPAC3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
SMILESCC1(C)C2CN(CCCO)CC21
InChIInChI=1S/C10H19NO/c1-10(2)8-6-11(4-3-5-12)7-9(8)10/h8-9,12H,3-7H2,1-2H3
InChIKeyXITDDDPYFUKTTD-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.96
Rot. Bonds3

About 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol

3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol (PubChem CID 130708552) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
PubChem CID130708552
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
SMILESCC1(C)C2CN(CCCO)CC21
InChIInChI=1S/C10H19NO/c1-10(2)8-6-11(4-3-5-12)7-9(8)10/h8-9,12H,3-7H2,1-2H3
InChIKeyXITDDDPYFUKTTD-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol?
The IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol (CID 130708552) is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol?
The canonical SMILES for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol is CC1(C)C2CN(CCCO)CC21.
What is the InChIKey of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol?
The InChIKey is XITDDDPYFUKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)8-6-11(4-3-5-12)7-9(8)10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol?
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol is sourced from PubChem (CID 130708552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).