N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride

C11H18Cl3N3 — CID 173367624

IUPACN'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNC1=CCN2C=CC=CC2=C1
InChIInChI=1S/C11H15N3.3ClH/c12-5-6-13-10-4-8-14-7-2-1-3-11(14)9-10;;;/h1-4,7,9,13H,5-6,8,12H2;3*1H
InChIKeyVMQVOPMNMIMQTJ-UHFFFAOYSA-N
MW298.65 g/mol
LogP1.97
Rot. Bonds3

About N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride

N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride (PubChem CID 173367624) has the molecular formula C11H18Cl3N3 and a molecular weight of 298.65 g/mol. Its IUPAC name is N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride
PubChem CID173367624
Molecular FormulaC11H18Cl3N3
Molecular Weight298.65 g/mol
Exact Mass297.06
IUPAC NameN'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNC1=CCN2C=CC=CC2=C1
InChIInChI=1S/C11H15N3.3ClH/c12-5-6-13-10-4-8-14-7-2-1-3-11(14)9-10;;;/h1-4,7,9,13H,5-6,8,12H2;3*1H
InChIKeyVMQVOPMNMIMQTJ-UHFFFAOYSA-N
XLogP1.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride?
The IUPAC name of N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride (CID 173367624) is N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride is Cl.Cl.Cl.NCCNC1=CCN2C=CC=CC2=C1.
What is the InChIKey of N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride?
The InChIKey is VMQVOPMNMIMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.3ClH/c12-5-6-13-10-4-8-14-7-2-1-3-11(14)9-10;;;/h1-4,7,9,13H,5-6,8,12H2;3*1H.
What are the key properties of N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride?
N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride has a molecular weight of 298.65 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 173367624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).