N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride

C10H33Cl5N6 — CID 10150970

IUPACN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.5ClH/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;;;;;/h13-16H,1-12H2;5*1H
InChIKeySIPSXGSJEUTICD-UHFFFAOYSA-N
MW414.68 g/mol
LogP-0.63
Rot. Bonds13

About N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride (PubChem CID 10150970) has the molecular formula C10H33Cl5N6 and a molecular weight of 414.68 g/mol. Its IUPAC name is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride.

Molecular Properties

Compound NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
PubChem CID10150970
Molecular FormulaC10H33Cl5N6
Molecular Weight414.68 g/mol
Exact Mass412.12
IUPAC NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.5ClH/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;;;;;/h13-16H,1-12H2;5*1H
InChIKeySIPSXGSJEUTICD-UHFFFAOYSA-N
XLogP-0.63
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 5-0.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,2,3,4,5,6-hexachlorocyclohexane
CID 87854799
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87318857
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride?
The IUPAC name of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride (CID 10150970) is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride.
What is the SMILES notation for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride?
The canonical SMILES for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride is Cl.Cl.Cl.Cl.Cl.NCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride?
The InChIKey is SIPSXGSJEUTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28N6.5ClH/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;;;;;/h13-16H,1-12H2;5*1H.
What are the key properties of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride?
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride has a molecular weight of 414.68 g/mol, XLogP of -0.63, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride is sourced from PubChem (CID 10150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).