(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C11H20N2O — CID 172579800

IUPAC(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCNC(=O)C1[C@@H]2[C@H](CN1C)C2(C)C
InChIInChI=1S/C11H20N2O/c1-5-12-10(14)9-8-7(6-13(9)4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9?/m0/s1
InChIKeyQRICLXORENLAAJ-JVIMKECRSA-N
MW196.29 g/mol
LogP0.71
Rot. Bonds2

About (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 172579800) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID172579800
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCNC(=O)C1[C@@H]2[C@H](CN1C)C2(C)C
InChIInChI=1S/C11H20N2O/c1-5-12-10(14)9-8-7(6-13(9)4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9?/m0/s1
InChIKeyQRICLXORENLAAJ-JVIMKECRSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane
CID 171559129
methyl (2S)-3-chloro-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 58605883
N-ethyl-2,2,3-trimethylcyclopentane-1-carboxamide
CID 130011813
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[2-(ethylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 91606157
(1R,2S,5S)-3-(1-amino-2,2-dimethylcyclopropanecarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 175899357
ethyl (1R,2S,5S)-3-(3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 170632435
1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 167481102
(1R,2S,5S)-N-(cyanomethyl)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167521394
(1R,2S,5S)-6,6-dimethyl-N-(2-phenylethyl)-3-[(2S)-2,3,3-trimethylbutanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170631717
N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 141201618

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 172579800) is (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CCNC(=O)C1[C@@H]2[C@H](CN1C)C2(C)C.
What is the InChIKey of (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is QRICLXORENLAAJ-JVIMKECRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-12-10(14)9-8-7(6-13(9)4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9?/m0/s1.
What are the key properties of (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-ethyl-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 172579800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).