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

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Related Compounds

4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
CID 121385798
3-(2-azidoethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 130834832
3-[(3aS,6aR)-5-amino-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118533669
3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
CID 139643715
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
1-(6-hydroxyhexyl)azetidin-3-ol
CID 107706453
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
CID 107319640
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983

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).