5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine

C11H20N4 — CID 143709622

IUPAC5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine
SMILESCC(N)C1=CNC(N[C@H]2CCNC2)C=C1
InChIInChI=1S/C11H20N4/c1-8(12)9-2-3-11(14-6-9)15-10-4-5-13-7-10/h2-3,6,8,10-11,13-15H,4-5,7,12H2,1H3/t8?,10-,11?/m0/s1
InChIKeyNPQXXCGATKBUQW-JZQLECPJSA-N
MW208.31 g/mol
LogP-0.35
Rot. Bonds3

About 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine

5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine (PubChem CID 143709622) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine
PubChem CID143709622
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine
SMILESCC(N)C1=CNC(N[C@H]2CCNC2)C=C1
InChIInChI=1S/C11H20N4/c1-8(12)9-2-3-11(14-6-9)15-10-4-5-13-7-10/h2-3,6,8,10-11,13-15H,4-5,7,12H2,1H3/t8?,10-,11?/m0/s1
InChIKeyNPQXXCGATKBUQW-JZQLECPJSA-N
XLogP-0.35
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine (CID 143709622) is 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine is CC(N)C1=CNC(N[C@H]2CCNC2)C=C1.
What is the InChIKey of 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine?
The InChIKey is NPQXXCGATKBUQW-JZQLECPJSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(12)9-2-3-11(14-6-9)15-10-4-5-13-7-10/h2-3,6,8,10-11,13-15H,4-5,7,12H2,1H3/t8?,10-,11?/m0/s1.
What are the key properties of 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine?
5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine has a molecular weight of 208.31 g/mol, XLogP of -0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[(3S)-pyrrolidin-3-yl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 143709622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).