(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine

C8H17FN2 — CID 143715169

IUPAC(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@](N)(CCCF)C1
InChIInChI=1S/C8H17FN2/c1-11-6-4-8(10,7-11)3-2-5-9/h2-7,10H2,1H3/t8-/m0/s1
InChIKeyQAZPIHHKUXJHAF-QMMMGPOBSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds3

About (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine

(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine (PubChem CID 143715169) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine
PubChem CID143715169
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@](N)(CCCF)C1
InChIInChI=1S/C8H17FN2/c1-11-6-4-8(10,7-11)3-2-5-9/h2-7,10H2,1H3/t8-/m0/s1
InChIKeyQAZPIHHKUXJHAF-QMMMGPOBSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine (CID 143715169) is (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine is CN1CC[C@@](N)(CCCF)C1.
What is the InChIKey of (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine?
The InChIKey is QAZPIHHKUXJHAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17FN2/c1-11-6-4-8(10,7-11)3-2-5-9/h2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine?
(3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoropropyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 143715169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).