ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine

C12H25N — CID 169242531

IUPACethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(C)C.C=C.CC
InChIInChI=1S/C8H15N.C2H6.C2H4/c1-5-8(6-9-4)7(2)3;2*1-2/h5-7H,1-4H3;1-2H3;1-2H2/b8-5+,9-6+;;
InChIKeyBCBYXKZMOTUSSP-MLHUQVQXSA-N
MW183.34 g/mol
LogP4.12
Rot. Bonds2

About ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine

ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine (PubChem CID 169242531) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
PubChem CID169242531
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(C)C.C=C.CC
InChIInChI=1S/C8H15N.C2H6.C2H4/c1-5-8(6-9-4)7(2)3;2*1-2/h5-7H,1-4H3;1-2H3;1-2H2/b8-5+,9-6+;;
InChIKeyBCBYXKZMOTUSSP-MLHUQVQXSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,3-dimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 142329757
N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
CID 174103699
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 144970666
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
2-propan-2-ylbut-2-enal
CID 54145685
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(E)-2-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 163527626
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239
1-N,3-dimethylbutane-1,2-diimine
CID 123957798
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine (CID 169242531) is ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine is C/C=C(\C=N\C)C(C)C.C=C.CC.
What is the InChIKey of ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is BCBYXKZMOTUSSP-MLHUQVQXSA-N. The full InChI is InChI=1S/C8H15N.C2H6.C2H4/c1-5-8(6-9-4)7(2)3;2*1-2/h5-7H,1-4H3;1-2H3;1-2H2/b8-5+,9-6+;;.
What are the key properties of ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine?
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 183.34 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 169242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).