3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine

C14H29FN2O — CID 123400657

IUPAC3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine
SMILESCC(CCC1(C)NCCO1)N(C)CCC(C)(C)F
InChIInChI=1S/C14H29FN2O/c1-12(17(5)10-8-13(2,3)15)6-7-14(4)16-9-11-18-14/h12,16H,6-11H2,1-5H3
InChIKeyCKPBDBVENCAKKW-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.56
Rot. Bonds7

About 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine

3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine (PubChem CID 123400657) has the molecular formula C14H29FN2O and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine
PubChem CID123400657
Molecular FormulaC14H29FN2O
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC Name3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine
SMILESCC(CCC1(C)NCCO1)N(C)CCC(C)(C)F
InChIInChI=1S/C14H29FN2O/c1-12(17(5)10-8-13(2,3)15)6-7-14(4)16-9-11-18-14/h12,16H,6-11H2,1-5H3
InChIKeyCKPBDBVENCAKKW-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
(2S,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995025
(2R,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995028
(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995031
(2R,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995033
4-(2-Fluoro-ethoxy)-2-isopropyl-pyrrolidine
CID 102568647
(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
CID 174697088
(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 736167
2-Butyl-2-methyl-1,3-oxazolidine
CID 15326614
2-Methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 123226280
(2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 736165
(2R,4R)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 736166

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine?
The IUPAC name of 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine (CID 123400657) is 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine.
What is the SMILES notation for 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine?
The canonical SMILES for 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine is CC(CCC1(C)NCCO1)N(C)CCC(C)(C)F.
What is the InChIKey of 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine?
The InChIKey is CKPBDBVENCAKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O/c1-12(17(5)10-8-13(2,3)15)6-7-14(4)16-9-11-18-14/h12,16H,6-11H2,1-5H3.
What are the key properties of 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine?
3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine is sourced from PubChem (CID 123400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).