N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C10H18N2O — CID 146213895

IUPACN-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCCNC(=O)C1C2CCC(C2)N1C
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)9-7-4-5-8(6-7)12(9)2/h7-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyQKHRQMZAOYANOQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds2

About N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 146213895) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID146213895
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCCNC(=O)C1C2CCC(C2)N1C
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)9-7-4-5-8(6-7)12(9)2/h7-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyQKHRQMZAOYANOQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 146213895) is N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is CCNC(=O)C1C2CCC(C2)N1C.
What is the InChIKey of N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is QKHRQMZAOYANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-10(13)9-7-4-5-8(6-7)12(9)2/h7-9H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 146213895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).