3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine

C10H21FN2 — CID 105443320

IUPAC3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCN(C)C1
InChIInChI=1S/C10H21FN2/c1-10(11,5-6-12-2)9-4-7-13(3)8-9/h9,12H,4-8H2,1-3H3
InChIKeySMVKONUDLOEXOG-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.28
Rot. Bonds4

About 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine

3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine (PubChem CID 105443320) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine
PubChem CID105443320
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCN(C)C1
InChIInChI=1S/C10H21FN2/c1-10(11,5-6-12-2)9-4-7-13(3)8-9/h9,12H,4-8H2,1-3H3
InChIKeySMVKONUDLOEXOG-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
3-Butylpyrrolidine
CID 17389761
3-(2-Methylpropyl)pyrrolidine
CID 22975332
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
1-Methyl-3-(pyrrolidin-3-yl)pyrrolidine
CID 64436959
3-(2-Fluoropropan-2-yl)pyrrolidine hydrochloride
CID 162764761
1-(3-Methylbutyl)-4-pyrrolidin-3-ylpiperidine
CID 110876288
2,3,4,5-Tetramethylpyrrolidine
CID 20546029
2-Methyl-4-(1-methylethyl)pyrrolidine
CID 55288086
(2S,4S)-2-methyl-4-propan-2-ylpyrrolidine
CID 124130916
3-(3-Fluoropropyl)pyrrolidine
CID 18337168
5-(2-Fluoropyrrolidin-3-yl)pentan-1-amine
CID 54136001

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine (CID 105443320) is 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine is CNCCC(C)(F)C1CCN(C)C1.
What is the InChIKey of 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine?
The InChIKey is SMVKONUDLOEXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(11,5-6-12-2)9-4-7-13(3)8-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine?
3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine has a molecular weight of 188.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine is sourced from PubChem (CID 105443320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).