(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine

C8H14N2 — CID 139420670

IUPAC(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(\C=N\C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(4-5-9)6-10-3/h4-7,9H,1-3H3/b8-4+,9-5+,10-6+
InChIKeyNERLXLUCNXCFBT-YLAQOCQFSA-N
MW138.21 g/mol
LogP1.92
Rot. Bonds3

About (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine

(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine (PubChem CID 139420670) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine
PubChem CID139420670
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(\C=N\C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(4-5-9)6-10-3/h4-7,9H,1-3H3/b8-4+,9-5+,10-6+
InChIKeyNERLXLUCNXCFBT-YLAQOCQFSA-N
XLogP1.92
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.92
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

(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride
CID 146392589
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
4-propan-2-yl-3H-pyridin-1-ium
CID 57080011
5-Propan-2-yl-2,3-dihydropyridine
CID 59752208
(3R)-5-ethyl-3-methyl-2,3-dihydropyridine
CID 68164985
5-Ethyl-3-methyl-2,3-dihydropyridine
CID 77458068
(Z)-2-propan-2-ylbut-2-en-1-imine
CID 88995179
(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine
CID 89095895
(3-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 89272014
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186
(Z)-2-tert-butylbut-2-ene-1,4-diimine
CID 89370188
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine (CID 139420670) is (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine is [H]/N=C/C=C(\C=N\C)C(C)C.
What is the InChIKey of (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine?
The InChIKey is NERLXLUCNXCFBT-YLAQOCQFSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(4-5-9)6-10-3/h4-7,9H,1-3H3/b8-4+,9-5+,10-6+.
What are the key properties of (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine?
(Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-propan-2-ylbut-2-ene-1,4-diimine is sourced from PubChem (CID 139420670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).