N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide

C12H22F2N2O — CID 114226506

IUPACN-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H22F2N2O/c1-11(2,7-15)8-16(3)10(17)9-4-5-12(13,14)6-9/h9H,4-8,15H2,1-3H3
InChIKeyVJAFACGOCLUBRW-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.87
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide (PubChem CID 114226506) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide
PubChem CID114226506
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H22F2N2O/c1-11(2,7-15)8-16(3)10(17)9-4-5-12(13,14)6-9/h9H,4-8,15H2,1-3H3
InChIKeyVJAFACGOCLUBRW-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide (CID 114226506) is N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide is CN(CC(C)(C)CN)C(=O)C1CCC(F)(F)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide?
The InChIKey is VJAFACGOCLUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-11(2,7-15)8-16(3)10(17)9-4-5-12(13,14)6-9/h9H,4-8,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide has a molecular weight of 248.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3,3-difluoro-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).