cyclohexyl N-(methylamino)carbamate

C8H16N2O2 — CID 143392202

IUPACcyclohexyl N-(methylamino)carbamate
SMILESCNNC(=O)OC1CCCCC1
InChIInChI=1S/C8H16N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyYZLNDEPHMPFLMJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.18
Rot. Bonds2

About cyclohexyl N-(methylamino)carbamate

cyclohexyl N-(methylamino)carbamate (PubChem CID 143392202) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is cyclohexyl N-(methylamino)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(methylamino)carbamate
PubChem CID143392202
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namecyclohexyl N-(methylamino)carbamate
SMILESCNNC(=O)OC1CCCCC1
InChIInChI=1S/C8H16N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyYZLNDEPHMPFLMJ-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.18
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 cyclohexyl N-(methylamino)carbamate?
The IUPAC name of cyclohexyl N-(methylamino)carbamate (CID 143392202) is cyclohexyl N-(methylamino)carbamate.
What is the SMILES notation for cyclohexyl N-(methylamino)carbamate?
The canonical SMILES for cyclohexyl N-(methylamino)carbamate is CNNC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(methylamino)carbamate?
The InChIKey is YZLNDEPHMPFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of cyclohexyl N-(methylamino)carbamate?
cyclohexyl N-(methylamino)carbamate has a molecular weight of 172.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(methylamino)carbamate is sourced from PubChem (CID 143392202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).