butane-2,3-diimine;ethane

C6H14N2 — CID 143061627

IUPACbutane-2,3-diimine;ethane
SMILESCC.[H]/N=C(C)/C(C)=N/[H]
InChIInChI=1S/C4H8N2.C2H6/c1-3(5)4(2)6;1-2/h5-6H,1-2H3;1-2H3/b5-3+,6-4+;
InChIKeyAQYYFNJZYLLZDW-WEUBHIEESA-N
MW114.19 g/mol
LogP2.09
Rot. Bonds1

About butane-2,3-diimine;ethane

butane-2,3-diimine;ethane (PubChem CID 143061627) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is butane-2,3-diimine;ethane.

Molecular Properties

Compound Namebutane-2,3-diimine;ethane
PubChem CID143061627
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namebutane-2,3-diimine;ethane
SMILESCC.[H]/N=C(C)/C(C)=N/[H]
InChIInChI=1S/C4H8N2.C2H6/c1-3(5)4(2)6;1-2/h5-6H,1-2H3;1-2H3/b5-3+,6-4+;
InChIKeyAQYYFNJZYLLZDW-WEUBHIEESA-N
XLogP2.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Butan-2-imine
CID 12355452
Butan-2-ylidenehydrazine
CID 12546268
Diethylmethylenamine
CID 12811805
Butane-2,3-diimine
CID 15776164
(Z)-Butanonhydrazon
CID 21719952
Pentane-2,4-diimine
CID 22942759
Hexan-3-imine
CID 44512023
(Butan-2-ylidene)hydrazine
CID 71356052
Methylpropan iminium chloride
CID 129762923
Methyl ketazine
CID 129868276
3-Fluorobutan-2-imine
CID 123892866
3-Fluoropentane-2,4-diimine
CID 176049044

Frequently Asked Questions

What is the IUPAC name of butane-2,3-diimine;ethane?
The IUPAC name of butane-2,3-diimine;ethane (CID 143061627) is butane-2,3-diimine;ethane.
What is the SMILES notation for butane-2,3-diimine;ethane?
The canonical SMILES for butane-2,3-diimine;ethane is CC.[H]/N=C(C)/C(C)=N/[H].
What is the InChIKey of butane-2,3-diimine;ethane?
The InChIKey is AQYYFNJZYLLZDW-WEUBHIEESA-N. The full InChI is InChI=1S/C4H8N2.C2H6/c1-3(5)4(2)6;1-2/h5-6H,1-2H3;1-2H3/b5-3+,6-4+;.
What are the key properties of butane-2,3-diimine;ethane?
butane-2,3-diimine;ethane has a molecular weight of 114.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diimine;ethane is sourced from PubChem (CID 143061627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).