1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one

C15H25F3N2O — CID 178108353

IUPAC1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-11(19-13-9-12(10-13)15(16,17)18)5-4-6-14(21)20-7-2-3-8-20/h11-13,19H,2-10H2,1H3
InChIKeyYJXVBFYRCMJFEW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds6

About 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one

1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one (PubChem CID 178108353) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one
PubChem CID178108353
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-11(19-13-9-12(10-13)15(16,17)18)5-4-6-14(21)20-7-2-3-8-20/h11-13,19H,2-10H2,1H3
InChIKeyYJXVBFYRCMJFEW-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 114271824
N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine
CID 131104076
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
4-azaspiro[2.4]heptane-4-carbaldehyde;benzene;ethane;methanamine;methane;5-[methyl-[3-(trifluoromethyl)cyclobutyl]amino]-1-pyrrolidin-1-ylhexan-1-one
CID 178108583
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788012
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one (CID 178108353) is 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one is CC(CCCC(=O)N1CCCC1)NC1CC(C(F)(F)F)C1.
What is the InChIKey of 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one?
The InChIKey is YJXVBFYRCMJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11(19-13-9-12(10-13)15(16,17)18)5-4-6-14(21)20-7-2-3-8-20/h11-13,19H,2-10H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one?
1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one is sourced from PubChem (CID 178108353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).