acetic acid;2-(ethylideneamino)ethanamine

C12H26N2O8 — CID 174738996

IUPACacetic acid;2-(ethylideneamino)ethanamine
SMILESC/C=N/CCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/C4H10N2.4C2H4O2/c1-2-6-4-3-5;4*1-2(3)4/h2H,3-5H2,1H3;4*1H3,(H,3,4)/b6-2+;;;;
InChIKeyBYVKVFNMSBXNHI-GGDCSFEBSA-N
MW326.35 g/mol
LogP0.40
Rot. Bonds2

About acetic acid;2-(ethylideneamino)ethanamine

acetic acid;2-(ethylideneamino)ethanamine (PubChem CID 174738996) has the molecular formula C12H26N2O8 and a molecular weight of 326.35 g/mol. Its IUPAC name is acetic acid;2-(ethylideneamino)ethanamine.

Molecular Properties

Compound Nameacetic acid;2-(ethylideneamino)ethanamine
PubChem CID174738996
Molecular FormulaC12H26N2O8
Molecular Weight326.35 g/mol
Exact Mass326.17
IUPAC Nameacetic acid;2-(ethylideneamino)ethanamine
SMILESC/C=N/CCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/C4H10N2.4C2H4O2/c1-2-6-4-3-5;4*1-2(3)4/h2H,3-5H2,1H3;4*1H3,(H,3,4)/b6-2+;;;;
InChIKeyBYVKVFNMSBXNHI-GGDCSFEBSA-N
XLogP0.40
TPSA187.58 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;chloromethanamine
CID 162328321
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;methanediamine
CID 162329452
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
CID 160967655
CID 160967655

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(ethylideneamino)ethanamine?
The IUPAC name of acetic acid;2-(ethylideneamino)ethanamine (CID 174738996) is acetic acid;2-(ethylideneamino)ethanamine.
What is the SMILES notation for acetic acid;2-(ethylideneamino)ethanamine?
The canonical SMILES for acetic acid;2-(ethylideneamino)ethanamine is C/C=N/CCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;2-(ethylideneamino)ethanamine?
The InChIKey is BYVKVFNMSBXNHI-GGDCSFEBSA-N. The full InChI is InChI=1S/C4H10N2.4C2H4O2/c1-2-6-4-3-5;4*1-2(3)4/h2H,3-5H2,1H3;4*1H3,(H,3,4)/b6-2+;;;;.
What are the key properties of acetic acid;2-(ethylideneamino)ethanamine?
acetic acid;2-(ethylideneamino)ethanamine has a molecular weight of 326.35 g/mol, XLogP of 0.40, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(ethylideneamino)ethanamine is sourced from PubChem (CID 174738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).