2-methylpropyl N,N-dipentylcarbamate

C15H31NO2 — CID 91749310

IUPAC2-methylpropyl N,N-dipentylcarbamate
SMILESCCCCCN(CCCCC)C(=O)OCC(C)C
InChIInChI=1S/C15H31NO2/c1-5-7-9-11-16(12-10-8-6-2)15(17)18-13-14(3)4/h14H,5-13H2,1-4H3
InChIKeyXMENVGIGUYLHTP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.46
Rot. Bonds10

About 2-methylpropyl N,N-dipentylcarbamate

2-methylpropyl N,N-dipentylcarbamate (PubChem CID 91749310) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methylpropyl N,N-dipentylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-dipentylcarbamate
PubChem CID91749310
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-methylpropyl N,N-dipentylcarbamate
SMILESCCCCCN(CCCCC)C(=O)OCC(C)C
InChIInChI=1S/C15H31NO2/c1-5-7-9-11-16(12-10-8-6-2)15(17)18-13-14(3)4/h14H,5-13H2,1-4H3
InChIKeyXMENVGIGUYLHTP-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-dipentylcarbamate?
The IUPAC name of 2-methylpropyl N,N-dipentylcarbamate (CID 91749310) is 2-methylpropyl N,N-dipentylcarbamate.
What is the SMILES notation for 2-methylpropyl N,N-dipentylcarbamate?
The canonical SMILES for 2-methylpropyl N,N-dipentylcarbamate is CCCCCN(CCCCC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N-dipentylcarbamate?
The InChIKey is XMENVGIGUYLHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-7-9-11-16(12-10-8-6-2)15(17)18-13-14(3)4/h14H,5-13H2,1-4H3.
What are the key properties of 2-methylpropyl N,N-dipentylcarbamate?
2-methylpropyl N,N-dipentylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-dipentylcarbamate is sourced from PubChem (CID 91749310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).