(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine

C15H20BrN3 — CID 66674145

IUPAC(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
SMILESBrc1ccc(N2CC[C@@H](N(C3CC3)C3CC3)C2)nc1
InChIInChI=1S/C15H20BrN3/c16-11-1-6-15(17-9-11)18-8-7-14(10-18)19(12-2-3-12)13-4-5-13/h1,6,9,12-14H,2-5,7-8,10H2/t14-/m1/s1
InChIKeyANVKLRXROVKZHY-CQSZACIVSA-N
MW322.25 g/mol
LogP3.05
Rot. Bonds4

About (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine

(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine (PubChem CID 66674145) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
PubChem CID66674145
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
SMILESBrc1ccc(N2CC[C@@H](N(C3CC3)C3CC3)C2)nc1
InChIInChI=1S/C15H20BrN3/c16-11-1-6-15(17-9-11)18-8-7-14(10-18)19(12-2-3-12)13-4-5-13/h1,6,9,12-14H,2-5,7-8,10H2/t14-/m1/s1
InChIKeyANVKLRXROVKZHY-CQSZACIVSA-N
XLogP3.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine (CID 66674145) is (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine is Brc1ccc(N2CC[C@@H](N(C3CC3)C3CC3)C2)nc1.
What is the InChIKey of (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine?
The InChIKey is ANVKLRXROVKZHY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20BrN3/c16-11-1-6-15(17-9-11)18-8-7-14(10-18)19(12-2-3-12)13-4-5-13/h1,6,9,12-14H,2-5,7-8,10H2/t14-/m1/s1.
What are the key properties of (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine?
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine has a molecular weight of 322.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 66674145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).