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

C8H23N5 — CID 91561059

IUPACN'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine
SMILESCCN(CCNCCN)NCCN
InChIInChI=1S/C8H23N5/c1-2-13(12-6-4-10)8-7-11-5-3-9/h11-12H,2-10H2,1H3
InChIKeyKOCBOWQMEZNCDT-UHFFFAOYSA-N
MW189.31 g/mol
LogP-1.68
Rot. Bonds9

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

N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 91561059) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine
PubChem CID91561059
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC NameN'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine
SMILESCCN(CCNCCN)NCCN
InChIInChI=1S/C8H23N5/c1-2-13(12-6-4-10)8-7-11-5-3-9/h11-12H,2-10H2,1H3
InChIKeyKOCBOWQMEZNCDT-UHFFFAOYSA-N
XLogP-1.68
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine (CID 91561059) is N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine is CCN(CCNCCN)NCCN.
What is the InChIKey of N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is KOCBOWQMEZNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5/c1-2-13(12-6-4-10)8-7-11-5-3-9/h11-12H,2-10H2,1H3.
What are the key properties of N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 189.31 g/mol, XLogP of -1.68, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-aminoethylamino)-ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 91561059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).