2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate

C15H31NO2 — CID 58109084

IUPAC2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate
SMILESCCCN(CC(C)C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-8-9-16(10-11(2)3)15(17)18-14(12(4)5)13(6)7/h11-14H,8-10H2,1-7H3
InChIKeyKHWQEMBDYPVQGZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.17
Rot. Bonds7

About 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate

2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate (PubChem CID 58109084) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate
PubChem CID58109084
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate
SMILESCCCN(CC(C)C)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-8-9-16(10-11(2)3)15(17)18-14(12(4)5)13(6)7/h11-14H,8-10H2,1-7H3
InChIKeyKHWQEMBDYPVQGZ-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate (CID 58109084) is 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate is CCCN(CC(C)C)C(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate?
The InChIKey is KHWQEMBDYPVQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-8-9-16(10-11(2)3)15(17)18-14(12(4)5)13(6)7/h11-14H,8-10H2,1-7H3.
What are the key properties of 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate?
2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-(2-methylpropyl)-N-propylcarbamate is sourced from PubChem (CID 58109084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).