4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine

C11H19N3 — CID 89037011

IUPAC4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
SMILESCC1=CC(C[C@H]2CCNC2)=NC(N)C1
InChIInChI=1S/C11H19N3/c1-8-4-10(14-11(12)5-8)6-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7,12H2,1H3/t9-,11?/m1/s1
InChIKeyCFKBYASUHLKDJK-BFHBGLAWSA-N
MW193.29 g/mol
LogP1.06
Rot. Bonds2

About 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine

4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine (PubChem CID 89037011) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
PubChem CID89037011
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
SMILESCC1=CC(C[C@H]2CCNC2)=NC(N)C1
InChIInChI=1S/C11H19N3/c1-8-4-10(14-11(12)5-8)6-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7,12H2,1H3/t9-,11?/m1/s1
InChIKeyCFKBYASUHLKDJK-BFHBGLAWSA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine?
The IUPAC name of 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine (CID 89037011) is 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine?
The canonical SMILES for 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine is CC1=CC(C[C@H]2CCNC2)=NC(N)C1.
What is the InChIKey of 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine?
The InChIKey is CFKBYASUHLKDJK-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-4-10(14-11(12)5-8)6-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7,12H2,1H3/t9-,11?/m1/s1.
What are the key properties of 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine?
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 89037011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).