tert-butyl N,N-dipentylcarbamate

C15H31NO2 — CID 65142743

IUPACtert-butyl N,N-dipentylcarbamate
SMILESCCCCCN(CCCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-8-10-12-16(13-11-9-7-2)14(17)18-15(3,4)5/h6-13H2,1-5H3
InChIKeyILIFWWVBKRAWBA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.60
Rot. Bonds8

About tert-butyl N,N-dipentylcarbamate

tert-butyl N,N-dipentylcarbamate (PubChem CID 65142743) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is tert-butyl N,N-dipentylcarbamate.

Molecular Properties

Compound Nametert-butyl N,N-dipentylcarbamate
PubChem CID65142743
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nametert-butyl N,N-dipentylcarbamate
SMILESCCCCCN(CCCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-8-10-12-16(13-11-9-7-2)14(17)18-15(3,4)5/h6-13H2,1-5H3
InChIKeyILIFWWVBKRAWBA-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
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-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
tert-butyl N-(8-azidooctyl)-N-butylcarbamate
CID 58079640
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-dipentylcarbamate?
The IUPAC name of tert-butyl N,N-dipentylcarbamate (CID 65142743) is tert-butyl N,N-dipentylcarbamate.
What is the SMILES notation for tert-butyl N,N-dipentylcarbamate?
The canonical SMILES for tert-butyl N,N-dipentylcarbamate is CCCCCN(CCCCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-dipentylcarbamate?
The InChIKey is ILIFWWVBKRAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-8-10-12-16(13-11-9-7-2)14(17)18-15(3,4)5/h6-13H2,1-5H3.
What are the key properties of tert-butyl N,N-dipentylcarbamate?
tert-butyl N,N-dipentylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-dipentylcarbamate is sourced from PubChem (CID 65142743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).