N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide

C12H24F2N2O2 — CID 106116164

IUPACN-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
SMILESCCCC(CCN)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-2-3-10(4-6-15)8-16-12(17)5-7-18-9-11(13)14/h10-11H,2-9,15H2,1H3,(H,16,17)
InChIKeyXXOXDMARISVFJH-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.54
Rot. Bonds11

About N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide

N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 106116164) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID106116164
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC NameN-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
SMILESCCCC(CCN)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-2-3-10(4-6-15)8-16-12(17)5-7-18-9-11(13)14/h10-11H,2-9,15H2,1H3,(H,16,17)
InChIKeyXXOXDMARISVFJH-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212435
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide (CID 106116164) is N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide is CCCC(CCN)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is XXOXDMARISVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-2-3-10(4-6-15)8-16-12(17)5-7-18-9-11(13)14/h10-11H,2-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide?
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 266.33 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 106116164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).