butyl N-(1-cyclohexylbut-3-enyl)carbamate

C15H27NO2 — CID 19816746

IUPACbutyl N-(1-cyclohexylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OCCCC)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-3-5-12-18-15(17)16-14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3,(H,16,17)
InChIKeyIBLCHTXINMRPQG-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.04
Rot. Bonds7

About butyl N-(1-cyclohexylbut-3-enyl)carbamate

butyl N-(1-cyclohexylbut-3-enyl)carbamate (PubChem CID 19816746) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is butyl N-(1-cyclohexylbut-3-enyl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-cyclohexylbut-3-enyl)carbamate
PubChem CID19816746
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namebutyl N-(1-cyclohexylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OCCCC)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-3-5-12-18-15(17)16-14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3,(H,16,17)
InChIKeyIBLCHTXINMRPQG-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The IUPAC name of butyl N-(1-cyclohexylbut-3-enyl)carbamate (CID 19816746) is butyl N-(1-cyclohexylbut-3-enyl)carbamate.
What is the SMILES notation for butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The canonical SMILES for butyl N-(1-cyclohexylbut-3-enyl)carbamate is C=CCC(NC(=O)OCCCC)C1CCCCC1.
What is the InChIKey of butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The InChIKey is IBLCHTXINMRPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-5-12-18-15(17)16-14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3,(H,16,17).
What are the key properties of butyl N-(1-cyclohexylbut-3-enyl)carbamate?
butyl N-(1-cyclohexylbut-3-enyl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-cyclohexylbut-3-enyl)carbamate is sourced from PubChem (CID 19816746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).