9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide

C12H19F3N2O — CID 120985035

IUPAC9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCC(F)(F)F)C2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)6-17-11(18)9-4-7-2-1-3-8(5-9)10(7)16/h7-10H,1-6,16H2,(H,17,18)
InChIKeyKEZXMGBLKDMSSZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.82
Rot. Bonds2

About 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985035) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985035
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCC(F)(F)F)C2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)6-17-11(18)9-4-7-2-1-3-8(5-9)10(7)16/h7-10H,1-6,16H2,(H,17,18)
InChIKeyKEZXMGBLKDMSSZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
9-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984689
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-(2-tert-butylsulfonylethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989796
9-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992972

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120985035) is 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCC(F)(F)F)C2.
What is the InChIKey of 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is KEZXMGBLKDMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)6-17-11(18)9-4-7-2-1-3-8(5-9)10(7)16/h7-10H,1-6,16H2,(H,17,18).
What are the key properties of 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).