methyl N-(2,2,6-trimethylheptan-3-yl)carbamate

C12H25NO2 — CID 59664754

IUPACmethyl N-(2,2,6-trimethylheptan-3-yl)carbamate
SMILESCOC(=O)NC(CCC(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-8-10(12(3,4)5)13-11(14)15-6/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyUFBNFNVWAPZKAS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds4

About methyl N-(2,2,6-trimethylheptan-3-yl)carbamate

methyl N-(2,2,6-trimethylheptan-3-yl)carbamate (PubChem CID 59664754) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl N-(2,2,6-trimethylheptan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2,6-trimethylheptan-3-yl)carbamate
PubChem CID59664754
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl N-(2,2,6-trimethylheptan-3-yl)carbamate
SMILESCOC(=O)NC(CCC(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-8-10(12(3,4)5)13-11(14)15-6/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyUFBNFNVWAPZKAS-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
methyl N-[(2S)-3,3-dimethyl-1-nitrobutan-2-yl]carbamate
CID 24867821
methyl N-(2,7-dimethyloctan-3-yl)carbamate
CID 144535621
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 106356146
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324
methyl N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]carbamate
CID 59450088

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2,6-trimethylheptan-3-yl)carbamate?
The IUPAC name of methyl N-(2,2,6-trimethylheptan-3-yl)carbamate (CID 59664754) is methyl N-(2,2,6-trimethylheptan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2,2,6-trimethylheptan-3-yl)carbamate?
The canonical SMILES for methyl N-(2,2,6-trimethylheptan-3-yl)carbamate is COC(=O)NC(CCC(C)C)C(C)(C)C.
What is the InChIKey of methyl N-(2,2,6-trimethylheptan-3-yl)carbamate?
The InChIKey is UFBNFNVWAPZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-8-10(12(3,4)5)13-11(14)15-6/h9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of methyl N-(2,2,6-trimethylheptan-3-yl)carbamate?
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2,6-trimethylheptan-3-yl)carbamate is sourced from PubChem (CID 59664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).