tert-butyl N-butylcarbamate;methane

C10H23NO2 — CID 153346289

IUPACtert-butyl N-butylcarbamate;methane
SMILESC.CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2.CH4/c1-5-6-7-10-8(11)12-9(2,3)4;/h5-7H2,1-4H3,(H,10,11);1H4
InChIKeyWRJDJKAJXPKOBX-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl N-butylcarbamate;methane

tert-butyl N-butylcarbamate;methane (PubChem CID 153346289) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is tert-butyl N-butylcarbamate;methane.

Molecular Properties

Compound Nametert-butyl N-butylcarbamate;methane
PubChem CID153346289
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nametert-butyl N-butylcarbamate;methane
SMILESC.CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2.CH4/c1-5-6-7-10-8(11)12-9(2,3)4;/h5-7H2,1-4H3,(H,10,11);1H4
InChIKeyWRJDJKAJXPKOBX-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.95
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-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[3-[[amino(butylamino)methylidene]amino]propyl]carbamate
CID 111044672
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[4-(butylamino)but-2-ynyl]carbamate
CID 155407048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butylcarbamate;methane?
The IUPAC name of tert-butyl N-butylcarbamate;methane (CID 153346289) is tert-butyl N-butylcarbamate;methane.
What is the SMILES notation for tert-butyl N-butylcarbamate;methane?
The canonical SMILES for tert-butyl N-butylcarbamate;methane is C.CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butylcarbamate;methane?
The InChIKey is WRJDJKAJXPKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.CH4/c1-5-6-7-10-8(11)12-9(2,3)4;/h5-7H2,1-4H3,(H,10,11);1H4.
What are the key properties of tert-butyl N-butylcarbamate;methane?
tert-butyl N-butylcarbamate;methane has a molecular weight of 189.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butylcarbamate;methane is sourced from PubChem (CID 153346289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).