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

C10H27N5O2 — CID 159794226

IUPACacetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.C2H4O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNIYOZLNLCQIDQJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP-2.24
Rot. Bonds10

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

acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 159794226) has the molecular formula C10H27N5O2 and a molecular weight of 249.36 g/mol. Its IUPAC name is acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID159794226
Molecular FormulaC10H27N5O2
Molecular Weight249.36 g/mol
Exact Mass249.22
IUPAC Nameacetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.C2H4O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNIYOZLNLCQIDQJ-UHFFFAOYSA-N
XLogP-2.24
TPSA125.43 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 5-2.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
CID 173081890
CID 173081890
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 159794226) is acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine is CC(=O)O.NCCNCCNCCNCCN.
What is the InChIKey of acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is NIYOZLNLCQIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.C2H4O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4).
What are the key properties of acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of -2.24, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159794226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).