N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

C11H22F2N2O2 — CID 107206665

IUPACN-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCCCCN)C(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-15(7-4-2-3-6-14)11(16)5-8-17-9-10(12)13/h10H,2-9,14H2,1H3
InChIKeyUGTPMXPABPPXRE-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.25
Rot. Bonds10

About N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (PubChem CID 107206665) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
PubChem CID107206665
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC NameN-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCCCCN)C(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-15(7-4-2-3-6-14)11(16)5-8-17-9-10(12)13/h10H,2-9,14H2,1H3
InChIKeyUGTPMXPABPPXRE-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
N-(3-aminopropyl)-2-(2,2-difluoroethoxy)-N-methylacetamide
CID 82004331
methyl 4-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoate
CID 103209822
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]acetic acid
CID 103205785
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
CID 107206525
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The IUPAC name of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (CID 107206665) is N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.
What is the SMILES notation for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The canonical SMILES for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is CN(CCCCCN)C(=O)CCOCC(F)F.
What is the InChIKey of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The InChIKey is UGTPMXPABPPXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-15(7-4-2-3-6-14)11(16)5-8-17-9-10(12)13/h10H,2-9,14H2,1H3.
What are the key properties of N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide has a molecular weight of 252.30 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is sourced from PubChem (CID 107206665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).