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

C15H27N — CID 176962868

IUPAC2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
SMILESCCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1
InChIInChI=1S/C15H27N/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3/h10-12H,7-9H2,1-6H3/b14-13+,16-10+
InChIKeyPXAIJBFQZXGPBO-KSPDVFMOSA-N
MW221.39 g/mol
LogP4.83
Rot. Bonds5

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

2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine (PubChem CID 176962868) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
PubChem CID176962868
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
SMILESCCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1
InChIInChI=1S/C15H27N/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3/h10-12H,7-9H2,1-6H3/b14-13+,16-10+
InChIKeyPXAIJBFQZXGPBO-KSPDVFMOSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.83
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 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The IUPAC name of 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine (CID 176962868) is 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine.
What is the SMILES notation for 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The canonical SMILES for 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine is CCC(C)/C=N/C(C)=C(\C)C1(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
The InChIKey is PXAIJBFQZXGPBO-KSPDVFMOSA-N. The full InChI is InChI=1S/C15H27N/c1-7-12(4)10-16-14(6)13(5)15(8-9-15)11(2)3/h10-12H,7-9H2,1-6H3/b14-13+,16-10+.
What are the key properties of 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine?
2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine is sourced from PubChem (CID 176962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).