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

C24H54N6O12 — CID 175291540

IUPACacetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[H]/N=C/CNCCNCCNCCNCCNCC
InChIInChI=1S/C12H30N6.6C2H4O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;6*1-2(3)4/h3,13-18H,2,4-12H2,1H3;6*1H3,(H,3,4)/b13-3+;;;;;;
InChIKeyVWLUKLHBEYNHDK-UZOPOAOTSA-N
MW618.73 g/mol
LogP-0.85
Rot. Bonds15

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

acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 175291540) has the molecular formula C24H54N6O12 and a molecular weight of 618.73 g/mol. Its IUPAC name is acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID175291540
Molecular FormulaC24H54N6O12
Molecular Weight618.73 g/mol
Exact Mass618.38
IUPAC Nameacetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[H]/N=C/CNCCNCCNCCNCCNCC
InChIInChI=1S/C12H30N6.6C2H4O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;6*1-2(3)4/h3,13-18H,2,4-12H2,1H3;6*1H3,(H,3,4)/b13-3+;;;;;;
InChIKeyVWLUKLHBEYNHDK-UZOPOAOTSA-N
XLogP-0.85
TPSA307.80 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 5-0.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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

acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
CID 87252221
N-ethyl-4-iminobutan-1-amine
CID 155382614
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
2-(2-iminoethylamino)ethyl (2R)-2-amino-2-methyl-3-sulfanylpropanoate
CID 87967845
(2R)-2-amino-3-[2-(2-iminoethylamino)ethylsulfonyl]-2-methylpropanoic acid
CID 87946664
acetic acid;N-ethylethanamine;methanol;hydrate
CID 159655795
(2S)-2-amino-6-(2-iminoethylamino)hexanamide
CID 87946743
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
1-(ethylamino)-3-iminopropan-2-one
CID 123214763
4-iminobutan-2-one
CID 20812331
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 175291540) is acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[H]/N=C/CNCCNCCNCCNCCNCC.
What is the InChIKey of acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is VWLUKLHBEYNHDK-UZOPOAOTSA-N. The full InChI is InChI=1S/C12H30N6.6C2H4O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13;6*1-2(3)4/h3,13-18H,2,4-12H2,1H3;6*1H3,(H,3,4)/b13-3+;;;;;;.
What are the key properties of acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 618.73 g/mol, XLogP of -0.85, 15 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethyl-N'-[2-[2-[2-(2-iminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 175291540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).