3-methylpentan-3-yl carbamate

C7H15NO2 — CID 6526

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IUPAC3-methylpentan-3-yl carbamate
SMILESCCC(C)(CC)OC(N)=O
InChIInChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeySLWGJZPKHAXZQL-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.66
Rot. Bonds3

About 3-methylpentan-3-yl carbamate

3-methylpentan-3-yl carbamate (PubChem CID 6526) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methylpentan-3-yl carbamate.

Molecular Properties

Compound Name3-methylpentan-3-yl carbamate
PubChem CID6526
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-methylpentan-3-yl carbamate
SMILESCCC(C)(CC)OC(N)=O
InChIInChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)
InChIKeySLWGJZPKHAXZQL-UHFFFAOYSA-N
XLogP1.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl carbamate
CID 77922
2-Butanol, 2-methyl-, 2-carbamate
CID 68533
2-Methylpentan-2-yl carbamate
CID 53694384
Lithium (2-methylpropan-2-yl)oxycarbonylazanide
CID 15252050
CID 57558967
CID 57558967
3-(Trifluoromethyl)pentan-3-yl carbamate
CID 141404599
(5-Fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
3-Ethyl-1-pentyn-3-ol carbamate
CID 21150460
(2-Methylpropan-2-yl)oxycarbonylazanium
CID 20740640
2,3-Dimethylbutan-2-yl carbamate
CID 20975410
(1-Methylcyclobutyl) carbamate
CID 22061648
(1-Deuterio-2-methylpropan-2-yl) carbamate
CID 57106262

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl carbamate?
The IUPAC name of 3-methylpentan-3-yl carbamate (CID 6526) is 3-methylpentan-3-yl carbamate.
What is the SMILES notation for 3-methylpentan-3-yl carbamate?
The canonical SMILES for 3-methylpentan-3-yl carbamate is CCC(C)(CC)OC(N)=O.
What is the InChIKey of 3-methylpentan-3-yl carbamate?
The InChIKey is SLWGJZPKHAXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of 3-methylpentan-3-yl carbamate?
3-methylpentan-3-yl carbamate has a molecular weight of 145.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl carbamate is sourced from PubChem (CID 6526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).