cyclohexyl N-aminocarbamate;dihydrochloride

C7H16Cl2N2O2 — CID 174604488

IUPACcyclohexyl N-aminocarbamate;dihydrochloride
SMILESCl.Cl.NNC(=O)OC1CCCCC1
InChIInChI=1S/C7H14N2O2.2ClH/c8-9-7(10)11-6-4-2-1-3-5-6;;/h6H,1-5,8H2,(H,9,10);2*1H
InChIKeyVANWYHOVXWMBPW-UHFFFAOYSA-N
MW231.12 g/mol
LogP1.76
Rot. Bonds1

About cyclohexyl N-aminocarbamate;dihydrochloride

cyclohexyl N-aminocarbamate;dihydrochloride (PubChem CID 174604488) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is cyclohexyl N-aminocarbamate;dihydrochloride.

Molecular Properties

Compound Namecyclohexyl N-aminocarbamate;dihydrochloride
PubChem CID174604488
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Namecyclohexyl N-aminocarbamate;dihydrochloride
SMILESCl.Cl.NNC(=O)OC1CCCCC1
InChIInChI=1S/C7H14N2O2.2ClH/c8-9-7(10)11-6-4-2-1-3-5-6;;/h6H,1-5,8H2,(H,9,10);2*1H
InChIKeyVANWYHOVXWMBPW-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dicyclononyl carbonate
CID 139618210
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclopentyl N-methylcarbamate
CID 23548767
cyclododecyl N-cyclobutylcarbamate
CID 135210614
cyclohexyl N-(methylamino)carbamate
CID 143392202
oxetan-3-yl N-aminocarbamate
CID 67681212
cyclohexyl N-ethylcarbamate
CID 22978796
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclohexyl acetate;dihydrochloride
CID 140971070
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-aminocarbamate;dihydrochloride?
The IUPAC name of cyclohexyl N-aminocarbamate;dihydrochloride (CID 174604488) is cyclohexyl N-aminocarbamate;dihydrochloride.
What is the SMILES notation for cyclohexyl N-aminocarbamate;dihydrochloride?
The canonical SMILES for cyclohexyl N-aminocarbamate;dihydrochloride is Cl.Cl.NNC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-aminocarbamate;dihydrochloride?
The InChIKey is VANWYHOVXWMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c8-9-7(10)11-6-4-2-1-3-5-6;;/h6H,1-5,8H2,(H,9,10);2*1H.
What are the key properties of cyclohexyl N-aminocarbamate;dihydrochloride?
cyclohexyl N-aminocarbamate;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-aminocarbamate;dihydrochloride is sourced from PubChem (CID 174604488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).