2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane

C17H25N — CID 175956808

IUPAC2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
SMILESc1ccc(CCCCCCN2CCC3CC32)cc1
InChIInChI=1S/C17H25N/c1(4-8-15-9-5-3-6-10-15)2-7-12-18-13-11-16-14-17(16)18/h3,5-6,9-10,16-17H,1-2,4,7-8,11-14H2
InChIKeyFJZAYFDLSYUTOB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.88
Rot. Bonds7

About 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane

2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 175956808) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
PubChem CID175956808
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
SMILESc1ccc(CCCCCCN2CCC3CC32)cc1
InChIInChI=1S/C17H25N/c1(4-8-15-9-5-3-6-10-15)2-7-12-18-13-11-16-14-17(16)18/h3,5-6,9-10,16-17H,1-2,4,7-8,11-14H2
InChIKeyFJZAYFDLSYUTOB-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 102785255
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CID 114334917
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
CID 44592885
4-methylsulfonyl-1-(4-phenylbutyl)piperidin-2-amine
CID 174445756
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzoic acid
CID 67234518
2,3-dimethyl-1-(3-phenylpropyl)piperidin-4-amine
CID 79397057
hafnium;4-phenylbutylbenzene
CID 175889972
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
CID 68901288
1-benzyl-2,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
CID 82380236
2-[(3aS,6aS)-1-(3-phenylpropyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]benzonitrile
CID 70705116

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane (CID 175956808) is 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane is c1ccc(CCCCCCN2CCC3CC32)cc1.
What is the InChIKey of 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is FJZAYFDLSYUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1(4-8-15-9-5-3-6-10-15)2-7-12-18-13-11-16-14-17(16)18/h3,5-6,9-10,16-17H,1-2,4,7-8,11-14H2.
What are the key properties of 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane?
2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 243.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 175956808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).