azane;(dicyclohexylamino) nitrite

C12H25N3O2 — CID 87489236

IUPACazane;(dicyclohexylamino) nitrite
SMILESN.O=NON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O2.H3N/c15-13-16-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2;1H3
InChIKeyNMKIQKHEGNPTMC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.73
Rot. Bonds4

About azane;(dicyclohexylamino) nitrite

azane;(dicyclohexylamino) nitrite (PubChem CID 87489236) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is azane;(dicyclohexylamino) nitrite.

Molecular Properties

Compound Nameazane;(dicyclohexylamino) nitrite
PubChem CID87489236
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nameazane;(dicyclohexylamino) nitrite
SMILESN.O=NON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O2.H3N/c15-13-16-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2;1H3
InChIKeyNMKIQKHEGNPTMC-UHFFFAOYSA-N
XLogP3.73
TPSA76.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dicyclohexylnitrous amide
CID 13697
(dicyclohexylamino) nitrate
CID 141326529
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
N,N-dicyclohexylcyclohexanamine
CID 175770337
1-cyclohexyl-1-cyclopropylhydrazine
CID 22132585
N-cyclohexyl-N-nitrosoacetamide
CID 13464904
cyclohexyl nitrite;nitrous acid
CID 174432355
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
nitrosocyclopentadecane
CID 89341033
nitrosocycloheptane
CID 54252877
N-cyclohexylacetohydrazide
CID 89012430
[cyclohexyl-(2-methylidenecyclohexyl)amino] formate
CID 151916571

Frequently Asked Questions

What is the IUPAC name of azane;(dicyclohexylamino) nitrite?
The IUPAC name of azane;(dicyclohexylamino) nitrite (CID 87489236) is azane;(dicyclohexylamino) nitrite.
What is the SMILES notation for azane;(dicyclohexylamino) nitrite?
The canonical SMILES for azane;(dicyclohexylamino) nitrite is N.O=NON(C1CCCCC1)C1CCCCC1.
What is the InChIKey of azane;(dicyclohexylamino) nitrite?
The InChIKey is NMKIQKHEGNPTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.H3N/c15-13-16-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2;1H3.
What are the key properties of azane;(dicyclohexylamino) nitrite?
azane;(dicyclohexylamino) nitrite has a molecular weight of 243.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(dicyclohexylamino) nitrite is sourced from PubChem (CID 87489236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).