4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine

C9H18F2N2 — CID 116991552

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3
InChIKeyBVQGTSYSTDFTES-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds4

About 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine

4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine (PubChem CID 116991552) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
PubChem CID116991552
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3
InChIKeyBVQGTSYSTDFTES-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
CID 171837241
1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
3,3-difluoro-1-(2-heptylnonyl)pyrrolidine
CID 130348172
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-methylbutanenitrile
CID 116991652
3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
CID 130632039
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
CID 130806262
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine (CID 116991552) is 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine is CC(CCN)CN1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
The InChIKey is BVQGTSYSTDFTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8(2-4-12)6-13-5-3-9(10,11)7-13/h8H,2-7,12H2,1H3.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine?
4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116991552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).