3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride

C8H18ClFN2 — CID 115020907

IUPAC3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
SMILESCC1(F)CCN(CCCN)C1.Cl
InChIInChI=1S/C8H17FN2.ClH/c1-8(9)3-6-11(7-8)5-2-4-10;/h2-7,10H2,1H3;1H
InChIKeyKNYBRRILJACWSL-UHFFFAOYSA-N
MW196.70 g/mol
LogP1.19
Rot. Bonds3

About 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride

3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride (PubChem CID 115020907) has the molecular formula C8H18ClFN2 and a molecular weight of 196.70 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
PubChem CID115020907
Molecular FormulaC8H18ClFN2
Molecular Weight196.70 g/mol
Exact Mass196.11
IUPAC Name3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
SMILESCC1(F)CCN(CCCN)C1.Cl
InChIInChI=1S/C8H17FN2.ClH/c1-8(9)3-6-11(7-8)5-2-4-10;/h2-7,10H2,1H3;1H
InChIKeyKNYBRRILJACWSL-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
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CID 131065294
3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
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5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
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2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
CID 121203267
3-(4,4-difluoroazepan-1-yl)propan-1-amine
CID 115019061
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757
3-(3,3-difluoropyrrolidin-1-yl)propan-1-amine;1-fluoro-4-methylsulfanylbenzene
CID 171542748

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride (CID 115020907) is 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride is CC1(F)CCN(CCCN)C1.Cl.
What is the InChIKey of 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride?
The InChIKey is KNYBRRILJACWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2.ClH/c1-8(9)3-6-11(7-8)5-2-4-10;/h2-7,10H2,1H3;1H.
What are the key properties of 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride?
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride has a molecular weight of 196.70 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115020907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).