N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid

C6H21Cl3N4O12 — CID 71341920

IUPACN',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
SMILESNCCN(CCN)CCN.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H18N4.3ClHO4/c7-1-4-10(5-2-8)6-3-9;3*2-1(3,4)5/h1-9H2;3*(H,2,3,4,5)
InChIKeyNLGXAYBVGOAKPA-UHFFFAOYSA-N
MW447.61 g/mol
LogP-14.21
Rot. Bonds6

About N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid

N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid (PubChem CID 71341920) has the molecular formula C6H21Cl3N4O12 and a molecular weight of 447.61 g/mol. Its IUPAC name is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid.

Molecular Properties

Compound NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
PubChem CID71341920
Molecular FormulaC6H21Cl3N4O12
Molecular Weight447.61 g/mol
Exact Mass446.02
IUPAC NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
SMILESNCCN(CCN)CCN.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H18N4.3ClHO4/c7-1-4-10(5-2-8)6-3-9;3*2-1(3,4)5/h1-9H2;3*(H,2,3,4,5)
InChIKeyNLGXAYBVGOAKPA-UHFFFAOYSA-N
XLogP-14.21
TPSA349.53 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500447.61
LogP ≤ 5-14.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid?
The IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid (CID 71341920) is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid.
What is the SMILES notation for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid?
The canonical SMILES for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid is NCCN(CCN)CCN.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid?
The InChIKey is NLGXAYBVGOAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.3ClHO4/c7-1-4-10(5-2-8)6-3-9;3*2-1(3,4)5/h1-9H2;3*(H,2,3,4,5).
What are the key properties of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid?
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid has a molecular weight of 447.61 g/mol, XLogP of -14.21, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid is sourced from PubChem (CID 71341920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).