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

C13H25N — CID 143063423

IUPACethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(CC)=C(C)C.CC
InChIInChI=1S/C11H19N.C2H6/c1-7-11(9(4)5)12-10(6)8(2)3;1-2/h2,7H2,1,3-6H3;1-2H3/b12-10+;
InChIKeyGNMBPZONTYCKRY-VHPXAQPISA-N
MW195.35 g/mol
LogP4.75
Rot. Bonds3

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

ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine (PubChem CID 143063423) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
PubChem CID143063423
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(CC)=C(C)C.CC
InChIInChI=1S/C11H19N.C2H6/c1-7-11(9(4)5)12-10(6)8(2)3;1-2/h2,7H2,1,3-6H3;1-2H3/b12-10+;
InChIKeyGNMBPZONTYCKRY-VHPXAQPISA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine?
The IUPAC name of ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine (CID 143063423) is ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine.
What is the SMILES notation for ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine?
The canonical SMILES for ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine is C=C(C)/C(C)=N/C(CC)=C(C)C.CC.
What is the InChIKey of ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine?
The InChIKey is GNMBPZONTYCKRY-VHPXAQPISA-N. The full InChI is InChI=1S/C11H19N.C2H6/c1-7-11(9(4)5)12-10(6)8(2)3;1-2/h2,7H2,1,3-6H3;1-2H3/b12-10+;.
What are the key properties of ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine?
ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine is sourced from PubChem (CID 143063423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).