(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine

C12H19N3 — CID 97181815

IUPAC(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
SMILESCC(C)[C@]1(N)CCN(c2ccncc2)C1
InChIInChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyCPORURNIKHIRQY-LBPRGKRZSA-N
MW205.31 g/mol
LogP1.65
Rot. Bonds2

About (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine

(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine (PubChem CID 97181815) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
PubChem CID97181815
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
SMILESCC(C)[C@]1(N)CCN(c2ccncc2)C1
InChIInChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyCPORURNIKHIRQY-LBPRGKRZSA-N
XLogP1.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine (CID 97181815) is (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine is CC(C)[C@]1(N)CCN(c2ccncc2)C1.
What is the InChIKey of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The InChIKey is CPORURNIKHIRQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine is sourced from PubChem (CID 97181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).