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

C16H38N4O8 — CID 22253788

IUPACacetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNCCNCCNCCN
InChIInChI=1S/C8H22N4.4C2H4O2/c1-2-10-5-6-12-8-7-11-4-3-9;4*1-2(3)4/h10-12H,2-9H2,1H3;4*1H3,(H,3,4)
InChIKeyNQDUTJJZVVCLDR-UHFFFAOYSA-N
MW414.50 g/mol
LogP-0.90
Rot. Bonds9

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

acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 22253788) has the molecular formula C16H38N4O8 and a molecular weight of 414.50 g/mol. Its IUPAC name is acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID22253788
Molecular FormulaC16H38N4O8
Molecular Weight414.50 g/mol
Exact Mass414.27
IUPAC Nameacetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNCCNCCNCCN
InChIInChI=1S/C8H22N4.4C2H4O2/c1-2-10-5-6-12-8-7-11-4-3-9;4*1-2(3)4/h10-12H,2-9H2,1H3;4*1H3,(H,3,4)
InChIKeyNQDUTJJZVVCLDR-UHFFFAOYSA-N
XLogP-0.90
TPSA211.31 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 5-0.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
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]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
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
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 22253788) is acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNCCNCCNCCN.
What is the InChIKey of acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is NQDUTJJZVVCLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4.4C2H4O2/c1-2-10-5-6-12-8-7-11-4-3-9;4*1-2(3)4/h10-12H,2-9H2,1H3;4*1H3,(H,3,4).
What are the key properties of acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine?
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 414.50 g/mol, XLogP of -0.90, 9 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 22253788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).