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

C12H23N3O — CID 165466137

IUPAC1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C12H23N3O/c1-11(2,3)14-10(16)15-7-5-9-4-6-12(9,15)8-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyPSKHLBVXICKTLR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.31
Rot. Bonds1

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

1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 165466137) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID165466137
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C12H23N3O/c1-11(2,3)14-10(16)15-7-5-9-4-6-12(9,15)8-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyPSKHLBVXICKTLR-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 165466137) is 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is CC(C)(C)NC(=O)N1CCC2CCC21CN.
What is the InChIKey of 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is PSKHLBVXICKTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2,3)14-10(16)15-7-5-9-4-6-12(9,15)8-13/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 165466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).