N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

C13H23NO — CID 18712274

IUPACN-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide
SMILESCCNC(=O)C1CC2CC(C1C)C2(C)C
InChIInChI=1S/C13H23NO/c1-5-14-12(15)10-6-9-7-11(8(10)2)13(9,3)4/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyINZIDELUYJMEOV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.44
Rot. Bonds2

About N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide (PubChem CID 18712274) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide
PubChem CID18712274
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide
SMILESCCNC(=O)C1CC2CC(C1C)C2(C)C
InChIInChI=1S/C13H23NO/c1-5-14-12(15)10-6-9-7-11(8(10)2)13(9,3)4/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyINZIDELUYJMEOV-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62907
N-Cyclopropyl-5-methyl-2-(2-propanyl)cyclohexanecarboxamide
CID 10176881
Cyclohexanecarboxamide, 4-(cyclohexylmethyl)-N-butyl-
CID 299686
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
CID 162661126
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
N-butyladamantane-1-carboxamide
CID 585486
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-N-methyl-
CID 516775
Octahydro-1,6-methano-naphthalene-1-carboxylic acid butylamide
CID 516776
4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
CID 134792774
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide
CID 134792256
2-(Isopropyl)-N,5-dimethylcyclohexanecarboxamide
CID 3016106
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide?
The IUPAC name of N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide (CID 18712274) is N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide.
What is the SMILES notation for N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide?
The canonical SMILES for N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide is CCNC(=O)C1CC2CC(C1C)C2(C)C.
What is the InChIKey of N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide?
The InChIKey is INZIDELUYJMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-14-12(15)10-6-9-7-11(8(10)2)13(9,3)4/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide?
N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide is sourced from PubChem (CID 18712274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).