(E)-N,N'-dipentoxyethane-1,2-diimine

C12H24N2O2 — CID 118112396

IUPAC(E)-N,N'-dipentoxyethane-1,2-diimine
SMILESCCCCCO/N=C/C=N/OCCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-11-15-13-9-10-14-16-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyPNLQKIYHXHXTTD-UTLPMFLDSA-N
MW228.34 g/mol
LogP3.37
Rot. Bonds11

About (E)-N,N'-dipentoxyethane-1,2-diimine

(E)-N,N'-dipentoxyethane-1,2-diimine (PubChem CID 118112396) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (E)-N,N'-dipentoxyethane-1,2-diimine.

Molecular Properties

Compound Name(E)-N,N'-dipentoxyethane-1,2-diimine
PubChem CID118112396
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(E)-N,N'-dipentoxyethane-1,2-diimine
SMILESCCCCCO/N=C/C=N/OCCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-11-15-13-9-10-14-16-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyPNLQKIYHXHXTTD-UTLPMFLDSA-N
XLogP3.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
(E)-N-pentoxypentan-1-imine
CID 18714719
(E)-N-propoxyprop-2-en-1-imine
CID 10057470
triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
CID 6433529
(E)-N-butoxy-2-chloroethanimine
CID 18926175
hexadecoxyiminosilane
CID 173221095
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
sulfanyl (1E)-N-butoxymethanimidothioate
CID 137490278
(1E)-1-butoxyiminopropan-2-amine
CID 58684780
(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
(2E)-2-butoxyiminoacetic acid
CID 88725483
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dipentoxyethane-1,2-diimine?
The IUPAC name of (E)-N,N'-dipentoxyethane-1,2-diimine (CID 118112396) is (E)-N,N'-dipentoxyethane-1,2-diimine.
What is the SMILES notation for (E)-N,N'-dipentoxyethane-1,2-diimine?
The canonical SMILES for (E)-N,N'-dipentoxyethane-1,2-diimine is CCCCCO/N=C/C=N/OCCCCC.
What is the InChIKey of (E)-N,N'-dipentoxyethane-1,2-diimine?
The InChIKey is PNLQKIYHXHXTTD-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-7-11-15-13-9-10-14-16-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+.
What are the key properties of (E)-N,N'-dipentoxyethane-1,2-diimine?
(E)-N,N'-dipentoxyethane-1,2-diimine has a molecular weight of 228.34 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dipentoxyethane-1,2-diimine is sourced from PubChem (CID 118112396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).