3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H21F3N2O — CID 167110752

IUPAC3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1C2CCC(C2)C1N)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-12(2,13(14,15)16)6-18-11(19)9-7-3-4-8(5-7)10(9)17/h7-10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyPQDORIHJPCHOOK-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167110752) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167110752
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1C2CCC(C2)C1N)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-12(2,13(14,15)16)6-18-11(19)9-7-3-4-8(5-7)10(9)17/h7-10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyPQDORIHJPCHOOK-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
(1R,2S,3R,4S)-3-amino-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163396090
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163396185
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396186
3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110644
3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110787
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720397
(2R,3S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 167110752) is 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(CNC(=O)C1C2CCC(C2)C1N)C(F)(F)F.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PQDORIHJPCHOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-12(2,13(14,15)16)6-18-11(19)9-7-3-4-8(5-7)10(9)17/h7-10H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167110752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).