1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine

C12H22F2N2O — CID 103080955

IUPAC1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCCOCC(F)F)CN1C1CC1
InChIInChI=1S/C12H22F2N2O/c1-9-6-10(7-16(9)11-2-3-11)15-4-5-17-8-12(13)14/h9-12,15H,2-8H2,1H3
InChIKeyIQJJWUDMXPZRQV-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.48
Rot. Bonds7

About 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine (PubChem CID 103080955) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine
PubChem CID103080955
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine
SMILESCC1CC(NCCOCC(F)F)CN1C1CC1
InChIInChI=1S/C12H22F2N2O/c1-9-6-10(7-16(9)11-2-3-11)15-4-5-17-8-12(13)14/h9-12,15H,2-8H2,1H3
InChIKeyIQJJWUDMXPZRQV-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.48
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

1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
CID 103080937
1-cyclopropyl-5-methyl-N-(2-methylsulfinylethyl)pyrrolidin-3-amine
CID 115720797
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320
1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
CID 103780983
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
CID 115717762
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
CID 103789093
4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
CID 115725102

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine (CID 103080955) is 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine is CC1CC(NCCOCC(F)F)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine?
The InChIKey is IQJJWUDMXPZRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-9-6-10(7-16(9)11-2-3-11)15-4-5-17-8-12(13)14/h9-12,15H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine has a molecular weight of 248.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 103080955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).