3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide

C9H16N2O — CID 58168932

IUPAC3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC1C2CCC(C2)C1C(N)=O
InChIInChI=1S/C9H16N2O/c1-11-8-6-3-2-5(4-6)7(8)9(10)12/h5-8,11H,2-4H2,1H3,(H2,10,12)
InChIKeyKIJUFVJJNCGKDQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds2

About 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide

3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 58168932) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID58168932
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC1C2CCC(C2)C1C(N)=O
InChIInChI=1S/C9H16N2O/c1-11-8-6-3-2-5(4-6)7(8)9(10)12/h5-8,11H,2-4H2,1H3,(H2,10,12)
InChIKeyKIJUFVJJNCGKDQ-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide (CID 58168932) is 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide is CNC1C2CCC(C2)C1C(N)=O.
What is the InChIKey of 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KIJUFVJJNCGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8-6-3-2-5(4-6)7(8)9(10)12/h5-8,11H,2-4H2,1H3,(H2,10,12).
What are the key properties of 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide?
3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 58168932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).