tert-butyl N-nonylcarbamate;ethane

C16H35NO2 — CID 168941348

IUPACtert-butyl N-nonylcarbamate;ethane
SMILESCC.CCCCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2.C2H6/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4;1-2/h5-12H2,1-4H3,(H,15,16);1-2H3
InChIKeyUTOONXZJOQJITD-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.29
Rot. Bonds8

About tert-butyl N-nonylcarbamate;ethane

tert-butyl N-nonylcarbamate;ethane (PubChem CID 168941348) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is tert-butyl N-nonylcarbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-nonylcarbamate;ethane
PubChem CID168941348
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nametert-butyl N-nonylcarbamate;ethane
SMILESCC.CCCCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2.C2H6/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4;1-2/h5-12H2,1-4H3,(H,15,16);1-2H3
InChIKeyUTOONXZJOQJITD-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
dodecanoyl 12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 88506811
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[4-(hexylamino)butyl]carbamate;2,2,2-trifluoroacetaldehyde
CID 160758432
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
methyl N-nonylcarbamate
CID 5102101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-nonylcarbamate;ethane?
The IUPAC name of tert-butyl N-nonylcarbamate;ethane (CID 168941348) is tert-butyl N-nonylcarbamate;ethane.
What is the SMILES notation for tert-butyl N-nonylcarbamate;ethane?
The canonical SMILES for tert-butyl N-nonylcarbamate;ethane is CC.CCCCCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-nonylcarbamate;ethane?
The InChIKey is UTOONXZJOQJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C2H6/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4;1-2/h5-12H2,1-4H3,(H,15,16);1-2H3.
What are the key properties of tert-butyl N-nonylcarbamate;ethane?
tert-butyl N-nonylcarbamate;ethane has a molecular weight of 273.46 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-nonylcarbamate;ethane is sourced from PubChem (CID 168941348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).