methyl N-(5-methyl-2-adamantyl)carbamate

C13H21NO2 — CID 70971760

IUPACmethyl N-(5-methyl-2-adamantyl)carbamate
SMILESCOC(=O)NC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C13H21NO2/c1-13-5-8-3-9(6-13)11(10(4-8)7-13)14-12(15)16-2/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyPUXMNIGANZLAMA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds1

About methyl N-(5-methyl-2-adamantyl)carbamate

methyl N-(5-methyl-2-adamantyl)carbamate (PubChem CID 70971760) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is methyl N-(5-methyl-2-adamantyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-methyl-2-adamantyl)carbamate
PubChem CID70971760
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namemethyl N-(5-methyl-2-adamantyl)carbamate
SMILESCOC(=O)NC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C13H21NO2/c1-13-5-8-3-9(6-13)11(10(4-8)7-13)14-12(15)16-2/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyPUXMNIGANZLAMA-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methyl-2-adamantyl)carbamate?
The IUPAC name of methyl N-(5-methyl-2-adamantyl)carbamate (CID 70971760) is methyl N-(5-methyl-2-adamantyl)carbamate.
What is the SMILES notation for methyl N-(5-methyl-2-adamantyl)carbamate?
The canonical SMILES for methyl N-(5-methyl-2-adamantyl)carbamate is COC(=O)NC1C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of methyl N-(5-methyl-2-adamantyl)carbamate?
The InChIKey is PUXMNIGANZLAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13-5-8-3-9(6-13)11(10(4-8)7-13)14-12(15)16-2/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of methyl N-(5-methyl-2-adamantyl)carbamate?
methyl N-(5-methyl-2-adamantyl)carbamate has a molecular weight of 223.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methyl-2-adamantyl)carbamate is sourced from PubChem (CID 70971760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).