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

C8H23N5O — CID 140516466

IUPACacetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
SMILESCC(N)=O.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C2H5NO/c7-1-3-9-5-6-10-4-2-8;1-2(3)4/h9-10H,1-8H2;1H3,(H2,3,4)
InChIKeyQKXBRCCIVSDSRJ-UHFFFAOYSA-N
MW205.31 g/mol
LogP-2.43
Rot. Bonds7

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

acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine (PubChem CID 140516466) has the molecular formula C8H23N5O and a molecular weight of 205.31 g/mol. Its IUPAC name is acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameacetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
PubChem CID140516466
Molecular FormulaC8H23N5O
Molecular Weight205.31 g/mol
Exact Mass205.19
IUPAC Nameacetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
SMILESCC(N)=O.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C2H5NO/c7-1-3-9-5-6-10-4-2-8;1-2(3)4/h9-10H,1-8H2;1H3,(H2,3,4)
InChIKeyQKXBRCCIVSDSRJ-UHFFFAOYSA-N
XLogP-2.43
TPSA119.19 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
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
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
CID 157360906

Frequently Asked Questions

What is the IUPAC name of acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine (CID 140516466) is acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine is CC(N)=O.NCCNCCNCCN.
What is the InChIKey of acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is QKXBRCCIVSDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C2H5NO/c7-1-3-9-5-6-10-4-2-8;1-2(3)4/h9-10H,1-8H2;1H3,(H2,3,4).
What are the key properties of acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine?
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of -2.43, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 140516466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).