tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate

C19H35NO2 — CID 54346396

IUPACtert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate
SMILESCC(C)CC=CCC(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO2/c1-15(2)11-9-10-14-17(16-12-7-6-8-13-16)20-18(21)22-19(3,4)5/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,20,21)
InChIKeyUCPABRAKXASEAC-UHFFFAOYSA-N
MW309.49 g/mol
LogP5.45
Rot. Bonds6

About tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate

tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate (PubChem CID 54346396) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate
PubChem CID54346396
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Nametert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate
SMILESCC(C)CC=CCC(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO2/c1-15(2)11-9-10-14-17(16-12-7-6-8-13-16)20-18(21)22-19(3,4)5/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,20,21)
InChIKeyUCPABRAKXASEAC-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate (CID 54346396) is tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate is CC(C)CC=CCC(NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate?
The InChIKey is UCPABRAKXASEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-15(2)11-9-10-14-17(16-12-7-6-8-13-16)20-18(21)22-19(3,4)5/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate?
tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate has a molecular weight of 309.49 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-6-methylhept-3-enyl)carbamate is sourced from PubChem (CID 54346396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).