N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide

C12H21NO — CID 565667

IUPACN,N-diethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3
InChIKeyOXPQIMFDGXLVNH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.29
Rot. Bonds3

About N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide

N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 565667) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID565667
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-diethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3
InChIKeyOXPQIMFDGXLVNH-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide (CID 565667) is N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide is CCN(CC)C(=O)C1CC2CCC1C2.
What is the InChIKey of N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OXPQIMFDGXLVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide?
N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).