(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine

C11H20F2N2 — CID 170652295

IUPAC(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](NC2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-8(2)15-4-3-9(7-15)14-10-5-11(12,13)6-10/h8-10,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRIEKKUABFIWVGG-SECBINFHSA-N
MW218.29 g/mol
LogP1.86
Rot. Bonds3

About (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine

(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 170652295) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID170652295
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](NC2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-8(2)15-4-3-9(7-15)14-10-5-11(12,13)6-10/h8-10,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRIEKKUABFIWVGG-SECBINFHSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 104665766
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-(2-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62396542
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 176741428
N-(2-methylcyclopentyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63277763
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499
N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride
CID 162342308
1-ethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 28716489

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine (CID 170652295) is (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC[C@@H](NC2CC(F)(F)C2)C1.
What is the InChIKey of (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is RIEKKUABFIWVGG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-8(2)15-4-3-9(7-15)14-10-5-11(12,13)6-10/h8-10,14H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 218.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 170652295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).