1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane

C14H25N — CID 143290502

IUPAC1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane
SMILESC1=CC(C23CNCC2C3)=CCC1.CCC.[H][H]
InChIInChI=1S/C11H15N.C3H8.H2/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;1-3-2;/h2,4-5,10,12H,1,3,6-8H2;3H2,1-2H3;1H
InChIKeyRBZFVVFCJRCCKG-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.53
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane

1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane (PubChem CID 143290502) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane
PubChem CID143290502
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane
SMILESC1=CC(C23CNCC2C3)=CCC1.CCC.[H][H]
InChIInChI=1S/C11H15N.C3H8.H2/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;1-3-2;/h2,4-5,10,12H,1,3,6-8H2;3H2,1-2H3;1H
InChIKeyRBZFVVFCJRCCKG-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2Z,4E)-4-(difluoromethyl)hepta-2,4,6-trienyl]-3-azabicyclo[3.1.0]hexane
CID 88999694
(1S,5R)-1-[(3Z,5Z)-5-chloro-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3-azabicyclo[3.1.0]hexane
CID 135292670
(1S,5R)-1-(5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 137539808
1-(3-Chloro-4-fluorocyclohepta-1,3,6-trien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 143400600
(5S)-1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 152859981
1-[4-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 162552408
1-[2-Fluoro-7-(trifluoromethyl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]-3-azabicyclo[3.1.0]hexane
CID 163596020
(1R,5R)-1-[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 163987139
(5,6-Dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine
CID 19755352
(3Z,4Z)-3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene
CID 57987015
4-Cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
CID 67378559
7a-Ethyl-1,2,3,3a,6,7-hexahydroisoindole
CID 67814296

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane (CID 143290502) is 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane is C1=CC(C23CNCC2C3)=CCC1.CCC.[H][H].
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane?
The InChIKey is RBZFVVFCJRCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C3H8.H2/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;1-3-2;/h2,4-5,10,12H,1,3,6-8H2;3H2,1-2H3;1H.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane?
1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane has a molecular weight of 207.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane;molecular hydrogen;propane is sourced from PubChem (CID 143290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).