1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

C10H19N3O — CID 165466138

IUPAC1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCCNC(=O)N1CCC2CCC21CN
InChIInChI=1S/C10H19N3O/c1-2-12-9(14)13-6-4-8-3-5-10(8,13)7-11/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyNPPFGAJROXQHOJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.53
Rot. Bonds2

About 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 165466138) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID165466138
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCCNC(=O)N1CCC2CCC21CN
InChIInChI=1S/C10H19N3O/c1-2-12-9(14)13-6-4-8-3-5-10(8,13)7-11/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyNPPFGAJROXQHOJ-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 165466138) is 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is CCNC(=O)N1CCC2CCC21CN.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is NPPFGAJROXQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-12-9(14)13-6-4-8-3-5-10(8,13)7-11/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 165466138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).