N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide

C11H20F2N2O — CID 107493421

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N(CCN)CC(F)F)CCCC1
InChIInChI=1S/C11H20F2N2O/c1-11(4-2-3-5-11)10(16)15(7-6-14)8-9(12)13/h9H,2-8,14H2,1H3
InChIKeyPUBYFGKJDCZBHR-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.62
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 107493421) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
PubChem CID107493421
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)N(CCN)CC(F)F)CCCC1
InChIInChI=1S/C11H20F2N2O/c1-11(4-2-3-5-11)10(16)15(7-6-14)8-9(12)13/h9H,2-8,14H2,1H3
InChIKeyPUBYFGKJDCZBHR-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 107479058
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479760
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479763
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
CID 107493240
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107482212
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107493239
N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828970
N-(1-amino-2-methylpropan-2-yl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829154
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
CID 107493226
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106827331
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107493238

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide (CID 107493421) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)N(CCN)CC(F)F)CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is PUBYFGKJDCZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-11(4-2-3-5-11)10(16)15(7-6-14)8-9(12)13/h9H,2-8,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 234.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107493421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).