3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol

C11H21NO — CID 144714373

IUPAC3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
SMILESCCC(CCO)CN1CC2CC2C1
InChIInChI=1S/C11H21NO/c1-2-9(3-4-13)6-12-7-10-5-11(10)8-12/h9-11,13H,2-8H2,1H3
InChIKeyGVJXUNGSWKUTAJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.35
Rot. Bonds5

About 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol

3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol (PubChem CID 144714373) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
PubChem CID144714373
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
SMILESCCC(CCO)CN1CC2CC2C1
InChIInChI=1S/C11H21NO/c1-2-9(3-4-13)6-12-7-10-5-11(10)8-12/h9-11,13H,2-8H2,1H3
InChIKeyGVJXUNGSWKUTAJ-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
3,5,8-triethyldecane-1,10-diol
CID 87065848
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010

Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol (CID 144714373) is 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol is CCC(CCO)CN1CC2CC2C1.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol?
The InChIKey is GVJXUNGSWKUTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-9(3-4-13)6-12-7-10-5-11(10)8-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol?
3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol is sourced from PubChem (CID 144714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).