ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine

C13H28N2 — CID 170732037

IUPACethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
SMILESCC.CC.[H]/N=C/C(=N\CC)C(C)=C(C)C
InChIInChI=1S/C9H16N2.2C2H6/c1-5-11-9(6-10)8(4)7(2)3;2*1-2/h6,10H,5H2,1-4H3;2*1-2H3/b10-6+,11-9+;;
InChIKeyZVYBSVYPPGHAOB-XPUPCMNESA-N
MW212.38 g/mol
LogP4.51
Rot. Bonds3

About ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine

ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine (PubChem CID 170732037) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Nameethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
PubChem CID170732037
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine
SMILESCC.CC.[H]/N=C/C(=N\CC)C(C)=C(C)C
InChIInChI=1S/C9H16N2.2C2H6/c1-5-11-9(6-10)8(4)7(2)3;2*1-2/h6,10H,5H2,1-4H3;2*1-2H3/b10-6+,11-9+;;
InChIKeyZVYBSVYPPGHAOB-XPUPCMNESA-N
XLogP4.51
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
(E)-3-fluoro-2-methylpent-2-ene-1,4-diimine
CID 138494920
(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
CID 144910954
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
(Z)-N-ethyl-3,4-dimethylhex-3-en-2-imine
CID 59921684
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
CID 123601744
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
CID 123844789
(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine
CID 123915040

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?
The IUPAC name of ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine (CID 170732037) is ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine.
What is the SMILES notation for ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?
The canonical SMILES for ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine is CC.CC.[H]/N=C/C(=N\CC)C(C)=C(C)C.
What is the InChIKey of ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?
The InChIKey is ZVYBSVYPPGHAOB-XPUPCMNESA-N. The full InChI is InChI=1S/C9H16N2.2C2H6/c1-5-11-9(6-10)8(4)7(2)3;2*1-2/h6,10H,5H2,1-4H3;2*1-2H3/b10-6+,11-9+;;.
What are the key properties of ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine?
ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine has a molecular weight of 212.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-ethyl-3,4-dimethylpent-3-ene-1,2-diimine is sourced from PubChem (CID 170732037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).