ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine

C17H33N — CID 176962867

IUPACethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
SMILESCC.CCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1
InChIInChI=1S/C15H27N.C2H6/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3;1-2/h10-12H,7-9H2,1-6H3;1-2H3/b14-13+,16-10+;
InChIKeyLYDXMXFDKXRLLX-PDUFIWILSA-N
MW251.46 g/mol
LogP5.86
Rot. Bonds5

About ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine

ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine (PubChem CID 176962867) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine.

Molecular Properties

Compound Nameethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
PubChem CID176962867
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Nameethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
SMILESCC.CCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1
InChIInChI=1S/C15H27N.C2H6/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3;1-2/h10-12H,7-9H2,1-6H3;1-2H3/b14-13+,16-10+;
InChIKeyLYDXMXFDKXRLLX-PDUFIWILSA-N
XLogP5.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.86
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;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The IUPAC name of ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine (CID 176962867) is ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine.
What is the SMILES notation for ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The canonical SMILES for ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine is CC.CCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1.
What is the InChIKey of ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The InChIKey is LYDXMXFDKXRLLX-PDUFIWILSA-N. The full InChI is InChI=1S/C15H27N.C2H6/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3;1-2/h10-12H,7-9H2,1-6H3;1-2H3/b14-13+,16-10+;.
What are the key properties of ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine has a molecular weight of 251.46 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine is sourced from PubChem (CID 176962867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).