3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine

C15H23N5 — CID 70226312

IUPAC3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine
SMILESCC(N)C1=C(N2CCNCC2)C2C=CC=CC2N=C1N
InChIInChI=1S/C15H23N5/c1-10(16)13-14(20-8-6-18-7-9-20)11-4-2-3-5-12(11)19-15(13)17/h2-5,10-12,18H,6-9,16H2,1H3,(H2,17,19)
InChIKeyJKEDABXPKQVUGQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.03
Rot. Bonds2

About 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine

3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine (PubChem CID 70226312) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine.

Molecular Properties

Compound Name3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine
PubChem CID70226312
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine
SMILESCC(N)C1=C(N2CCNCC2)C2C=CC=CC2N=C1N
InChIInChI=1S/C15H23N5/c1-10(16)13-14(20-8-6-18-7-9-20)11-4-2-3-5-12(11)19-15(13)17/h2-5,10-12,18H,6-9,16H2,1H3,(H2,17,19)
InChIKeyJKEDABXPKQVUGQ-UHFFFAOYSA-N
XLogP-0.03
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine?
The IUPAC name of 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine (CID 70226312) is 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine.
What is the SMILES notation for 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine?
The canonical SMILES for 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine is CC(N)C1=C(N2CCNCC2)C2C=CC=CC2N=C1N.
What is the InChIKey of 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine?
The InChIKey is JKEDABXPKQVUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(16)13-14(20-8-6-18-7-9-20)11-4-2-3-5-12(11)19-15(13)17/h2-5,10-12,18H,6-9,16H2,1H3,(H2,17,19).
What are the key properties of 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine?
3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine has a molecular weight of 273.38 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4-piperazin-1-yl-4a,8a-dihydroquinolin-2-amine is sourced from PubChem (CID 70226312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).