ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

C14H29N — CID 155721531

IUPACethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(C)=C(C)C.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h1H2,2-6H3;2*1-2H3/b11-9+;;
InChIKeyIXYZONJMNKMVJD-OTBYXNOXSA-N
MW211.39 g/mol
LogP5.39
Rot. Bonds2

About ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (PubChem CID 155721531) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
PubChem CID155721531
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(C)=C(C)C.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h1H2,2-6H3;2*1-2H3/b11-9+;;
InChIKeyIXYZONJMNKMVJD-OTBYXNOXSA-N
XLogP5.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 59921687
3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 88973763
3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 89150851
2,3,7,8-Tetramethyl-4,5-dihydroazocine
CID 90771622
(E)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117923561
3-methyl-N-(4-methylpenta-1,3-dien-2-yl)but-3-en-2-imine
CID 123251627
N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 123767604
N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 126514287
N-(2,4-dimethylpent-2-en-3-yl)-3-methylbut-3-en-2-imine
CID 130279098
4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
CID 134339056
4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
CID 138569674

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The IUPAC name of ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (CID 155721531) is ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.
What is the SMILES notation for ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The canonical SMILES for ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is C=C(C)/C(C)=N/C(C)=C(C)C.CC.CC.
What is the InChIKey of ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The InChIKey is IXYZONJMNKMVJD-OTBYXNOXSA-N. The full InChI is InChI=1S/C10H17N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h1H2,2-6H3;2*1-2H3/b11-9+;;.
What are the key properties of ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine has a molecular weight of 211.39 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is sourced from PubChem (CID 155721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).