methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate

C11H20N2O2 — CID 2386799

IUPACmethyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate
SMILESCOC(=O)NNC1=CC(C)(C)C[C@@H](C)C1
InChIInChI=1S/C11H20N2O2/c1-8-5-9(7-11(2,3)6-8)12-13-10(14)15-4/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t8-/m0/s1
InChIKeyOLDOPBZKRRNHOD-QMMMGPOBSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds2

About methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate

methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate (PubChem CID 2386799) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate
PubChem CID2386799
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate
SMILESCOC(=O)NNC1=CC(C)(C)C[C@@H](C)C1
InChIInChI=1S/C11H20N2O2/c1-8-5-9(7-11(2,3)6-8)12-13-10(14)15-4/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t8-/m0/s1
InChIKeyOLDOPBZKRRNHOD-QMMMGPOBSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate?
The IUPAC name of methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate (CID 2386799) is methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate.
What is the SMILES notation for methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate?
The canonical SMILES for methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate is COC(=O)NNC1=CC(C)(C)C[C@@H](C)C1.
What is the InChIKey of methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate?
The InChIKey is OLDOPBZKRRNHOD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-9(7-11(2,3)6-8)12-13-10(14)15-4/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t8-/m0/s1.
What are the key properties of methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate?
methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate has a molecular weight of 212.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5R)-3,3,5-trimethylcyclohexen-1-yl]amino]carbamate is sourced from PubChem (CID 2386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).