propan-2-yl N,N-dipropylcarbamate

C10H21NO2 — CID 45119301

IUPACpropan-2-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C
InChIInChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(12)13-9(3)4/h9H,5-8H2,1-4H3
InChIKeyNYJORVZYAXQRAQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds5

About propan-2-yl N,N-dipropylcarbamate

propan-2-yl N,N-dipropylcarbamate (PubChem CID 45119301) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is propan-2-yl N,N-dipropylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N,N-dipropylcarbamate
PubChem CID45119301
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepropan-2-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C
InChIInChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(12)13-9(3)4/h9H,5-8H2,1-4H3
InChIKeyNYJORVZYAXQRAQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N,N-dipropylcarbamate?
The IUPAC name of propan-2-yl N,N-dipropylcarbamate (CID 45119301) is propan-2-yl N,N-dipropylcarbamate.
What is the SMILES notation for propan-2-yl N,N-dipropylcarbamate?
The canonical SMILES for propan-2-yl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N,N-dipropylcarbamate?
The InChIKey is NYJORVZYAXQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(12)13-9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of propan-2-yl N,N-dipropylcarbamate?
propan-2-yl N,N-dipropylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N,N-dipropylcarbamate is sourced from PubChem (CID 45119301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).