[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate

C14H25NO2 — CID 3467633

IUPAC[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate
SMILESCC(=O)ON=C(C)CC(C)(C)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(15-17-12(2)16)10-14(3,4)13-8-6-5-7-9-13/h13H,5-10H2,1-4H3
InChIKeySDRLFGZEHAMEOZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.92
Rot. Bonds4

About [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate

[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate (PubChem CID 3467633) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate.

Molecular Properties

Compound Name[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate
PubChem CID3467633
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate
SMILESCC(=O)ON=C(C)CC(C)(C)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(15-17-12(2)16)10-14(3,4)13-8-6-5-7-9-13/h13H,5-10H2,1-4H3
InChIKeySDRLFGZEHAMEOZ-UHFFFAOYSA-N
XLogP3.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
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-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate?
The IUPAC name of [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate (CID 3467633) is [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate.
What is the SMILES notation for [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate?
The canonical SMILES for [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate is CC(=O)ON=C(C)CC(C)(C)C1CCCCC1.
What is the InChIKey of [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate?
The InChIKey is SDRLFGZEHAMEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(15-17-12(2)16)10-14(3,4)13-8-6-5-7-9-13/h13H,5-10H2,1-4H3.
What are the key properties of [(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate?
[(4-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate has a molecular weight of 239.36 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-cyclohexyl-4-methylpentan-2-ylidene)amino] acetate is sourced from PubChem (CID 3467633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).