methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate

C13H24N2O2 — CID 4650730

IUPACmethyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
SMILESCCC(C)(C)C1CCC(=NNC(=O)OC)CC1
InChIInChI=1S/C13H24N2O2/c1-5-13(2,3)10-6-8-11(9-7-10)14-15-12(16)17-4/h10H,5-9H2,1-4H3,(H,15,16)/b14-11-
InChIKeyPWCSOAJIPVVKNC-KAMYIIQDSA-N
MW240.35 g/mol
LogP3.32
Rot. Bonds3

About methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate

methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate (PubChem CID 4650730) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
PubChem CID4650730
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
SMILESCCC(C)(C)C1CCC(=NNC(=O)OC)CC1
InChIInChI=1S/C13H24N2O2/c1-5-13(2,3)10-6-8-11(9-7-10)14-15-12(16)17-4/h10H,5-9H2,1-4H3,(H,15,16)/b14-11-
InChIKeyPWCSOAJIPVVKNC-KAMYIIQDSA-N
XLogP3.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate?
The IUPAC name of methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate (CID 4650730) is methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate.
What is the SMILES notation for methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate?
The canonical SMILES for methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate is CCC(C)(C)C1CCC(=NNC(=O)OC)CC1.
What is the InChIKey of methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate?
The InChIKey is PWCSOAJIPVVKNC-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(2,3)10-6-8-11(9-7-10)14-15-12(16)17-4/h10H,5-9H2,1-4H3,(H,15,16)/b14-11-.
What are the key properties of methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate?
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate has a molecular weight of 240.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate is sourced from PubChem (CID 4650730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).