3,3-dimethylbutyl N-propylcarbamate

C10H21NO2 — CID 153156945

IUPAC3,3-dimethylbutyl N-propylcarbamate
SMILESCCCNC(=O)OCCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-7-11-9(12)13-8-6-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWBPAQCJNVRQHGK-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds4

About 3,3-dimethylbutyl N-propylcarbamate

3,3-dimethylbutyl N-propylcarbamate (PubChem CID 153156945) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3,3-dimethylbutyl N-propylcarbamate.

Molecular Properties

Compound Name3,3-dimethylbutyl N-propylcarbamate
PubChem CID153156945
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3,3-dimethylbutyl N-propylcarbamate
SMILESCCCNC(=O)OCCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-7-11-9(12)13-8-6-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyWBPAQCJNVRQHGK-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxyethyl N-propylcarbamate
CID 15560805
3-(3,3-dimethylbutoxycarbonylamino)propane-1-sulfonic acid
CID 162505436
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
ethyl N-propylcarbamate
CID 12199
octadecyl N-propylcarbamate
CID 175015942
3-(propylamino)propyl N-propylcarbamate
CID 166733433
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
[3-amino-3-(2-aminoethyl)-5-(octadecylcarbamoyloxy)pentyl] N-octadecylcarbamate;dihydrochloride
CID 88519803
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
2-(3,3-difluorobutoxycarbonylamino)ethyl 2,2-dimethylbutanoate
CID 89446879
[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride
CID 88519806
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl N-propylcarbamate?
The IUPAC name of 3,3-dimethylbutyl N-propylcarbamate (CID 153156945) is 3,3-dimethylbutyl N-propylcarbamate.
What is the SMILES notation for 3,3-dimethylbutyl N-propylcarbamate?
The canonical SMILES for 3,3-dimethylbutyl N-propylcarbamate is CCCNC(=O)OCCC(C)(C)C.
What is the InChIKey of 3,3-dimethylbutyl N-propylcarbamate?
The InChIKey is WBPAQCJNVRQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-11-9(12)13-8-6-10(2,3)4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of 3,3-dimethylbutyl N-propylcarbamate?
3,3-dimethylbutyl N-propylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl N-propylcarbamate is sourced from PubChem (CID 153156945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).