N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride

C10H27Cl2N5 — CID 86346365

IUPACN'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCN1CCN(CCN)CC1
InChIInChI=1S/C10H25N5.2ClH/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15;;/h13H,1-12H2;2*1H
InChIKeyXJJXNVYQRDFFOW-UHFFFAOYSA-N
MW288.27 g/mol
LogP-1.05
Rot. Bonds7

About N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride

N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 86346365) has the molecular formula C10H27Cl2N5 and a molecular weight of 288.27 g/mol. Its IUPAC name is N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
PubChem CID86346365
Molecular FormulaC10H27Cl2N5
Molecular Weight288.27 g/mol
Exact Mass287.16
IUPAC NameN'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCN1CCN(CCN)CC1
InChIInChI=1S/C10H25N5.2ClH/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15;;/h13H,1-12H2;2*1H
InChIKeyXJJXNVYQRDFFOW-UHFFFAOYSA-N
XLogP-1.05
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride (CID 86346365) is N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNCCN1CCN(CCN)CC1.
What is the InChIKey of N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is XJJXNVYQRDFFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5.2ClH/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15;;/h13H,1-12H2;2*1H.
What are the key properties of N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride?
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 288.27 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 86346365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).