2,4-dimethylpentan-3-yl N,N-dipropylcarbamate

C14H29NO2 — CID 58096523

IUPAC2,4-dimethylpentan-3-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-7-9-15(10-8-2)14(16)17-13(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyMUQJNLPBASEGIX-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.93
Rot. Bonds7

About 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate

2,4-dimethylpentan-3-yl N,N-dipropylcarbamate (PubChem CID 58096523) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N,N-dipropylcarbamate
PubChem CID58096523
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2,4-dimethylpentan-3-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-7-9-15(10-8-2)14(16)17-13(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyMUQJNLPBASEGIX-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.93
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,N-dipropylcarbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate (CID 58096523) is 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate?
The InChIKey is MUQJNLPBASEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-9-15(10-8-2)14(16)17-13(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,4-dimethylpentan-3-yl N,N-dipropylcarbamate?
2,4-dimethylpentan-3-yl N,N-dipropylcarbamate has a molecular weight of 243.39 g/mol, XLogP of 3.93, 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,N-dipropylcarbamate is sourced from PubChem (CID 58096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).