[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate

C15H25NO2 — CID 170172232

IUPAC[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate
SMILESCCC(C)(C)C1CCC(=NOC(=O)C2CC2)CC1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)12-7-9-13(10-8-12)16-18-14(17)11-5-6-11/h11-12H,4-10H2,1-3H3/b16-13-
InChIKeyLIJKMAWPTGTNAJ-SSZFMOIBSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds4

About [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate

[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate (PubChem CID 170172232) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate.

Molecular Properties

Compound Name[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate
PubChem CID170172232
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate
SMILESCCC(C)(C)C1CCC(=NOC(=O)C2CC2)CC1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)12-7-9-13(10-8-12)16-18-14(17)11-5-6-11/h11-12H,4-10H2,1-3H3/b16-13-
InChIKeyLIJKMAWPTGTNAJ-SSZFMOIBSA-N
XLogP3.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate?
The IUPAC name of [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate (CID 170172232) is [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate.
What is the SMILES notation for [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate?
The canonical SMILES for [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate is CCC(C)(C)C1CCC(=NOC(=O)C2CC2)CC1.
What is the InChIKey of [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate?
The InChIKey is LIJKMAWPTGTNAJ-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-15(2,3)12-7-9-13(10-8-12)16-18-14(17)11-5-6-11/h11-12H,4-10H2,1-3H3/b16-13-.
What are the key properties of [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate?
[[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2-methylbutan-2-yl)cyclohexylidene]amino] cyclopropanecarboxylate is sourced from PubChem (CID 170172232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).