1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane

C10H18N2 — CID 87765664

IUPAC1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
SMILESC1CC2CN2C1.C1NCC2CC12
InChIInChI=1S/2C5H9N/c1-4-2-6-3-5(1)4;1-2-5-4-6(5)3-1/h4-6H,1-3H2;5H,1-4H2
InChIKeyZYOKKAFSQUGOIB-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds

About 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane

1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane (PubChem CID 87765664) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
PubChem CID87765664
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
SMILESC1CC2CN2C1.C1NCC2CC12
InChIInChI=1S/2C5H9N/c1-4-2-6-3-5(1)4;1-2-5-4-6(5)3-1/h4-6H,1-3H2;5H,1-4H2
InChIKeyZYOKKAFSQUGOIB-UHFFFAOYSA-N
XLogP0.69
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
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CID 66213126
5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 166934308
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
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CID 79469057
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 114762640
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane (CID 87765664) is 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane is C1CC2CN2C1.C1NCC2CC12.
What is the InChIKey of 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane?
The InChIKey is ZYOKKAFSQUGOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N/c1-4-2-6-3-5(1)4;1-2-5-4-6(5)3-1/h4-6H,1-3H2;5H,1-4H2.
What are the key properties of 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane?
1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane has a molecular weight of 166.27 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 87765664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).