4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine

C17H26N2O — CID 70814121

IUPAC4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine
SMILESCCN1C[C@@H]2C[C@]2(C2=CCC(N3CCOCC3)C=C2)C1
InChIInChI=1S/C17H26N2O/c1-2-18-12-15-11-17(15,13-18)14-3-5-16(6-4-14)19-7-9-20-10-8-19/h3-5,15-16H,2,6-13H2,1H3/t15-,16?,17+/m0/s1
InChIKeyGFBDEKCJANFTHC-RPCGPGEBSA-N
MW274.41 g/mol
LogP1.92
Rot. Bonds3

About 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine

4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine (PubChem CID 70814121) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine
PubChem CID70814121
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine
SMILESCCN1C[C@@H]2C[C@]2(C2=CCC(N3CCOCC3)C=C2)C1
InChIInChI=1S/C17H26N2O/c1-2-18-12-15-11-17(15,13-18)14-3-5-16(6-4-14)19-7-9-20-10-8-19/h3-5,15-16H,2,6-13H2,1H3/t15-,16?,17+/m0/s1
InChIKeyGFBDEKCJANFTHC-RPCGPGEBSA-N
XLogP1.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine with MolForge

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Related Compounds

4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine
CID 70814071
1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane
CID 70814042
3-ethyl-1-[4-(3-fluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 70814011
3-ethyl-1-[4-(4-ethyl-2-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 70814014
N-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 145000877
(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90777367
2,2,2-trifluoro-1-[1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 88579539
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
CID 174270382
4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)alumane
CID 147614722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine (CID 70814121) is 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine is CCN1C[C@@H]2C[C@]2(C2=CCC(N3CCOCC3)C=C2)C1.
What is the InChIKey of 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The InChIKey is GFBDEKCJANFTHC-RPCGPGEBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-12-15-11-17(15,13-18)14-3-5-16(6-4-14)19-7-9-20-10-8-19/h3-5,15-16H,2,6-13H2,1H3/t15-,16?,17+/m0/s1.
What are the key properties of 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine?
4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine has a molecular weight of 274.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 70814121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).