1-cyclohexylcyclohexan-1-amine;nitrous acid

C12H24N2O2 — CID 157147588

IUPAC1-cyclohexylcyclohexan-1-amine;nitrous acid
SMILESNC1(C2CCCCC2)CCCCC1.O=NO
InChIInChI=1S/C12H23N.HNO2/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1-3/h11H,1-10,13H2;(H,2,3)
InChIKeyAKWNPQUPULOIIN-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.37
Rot. Bonds1

About 1-cyclohexylcyclohexan-1-amine;nitrous acid

1-cyclohexylcyclohexan-1-amine;nitrous acid (PubChem CID 157147588) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclohexylcyclohexan-1-amine;nitrous acid.

Molecular Properties

Compound Name1-cyclohexylcyclohexan-1-amine;nitrous acid
PubChem CID157147588
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclohexylcyclohexan-1-amine;nitrous acid
SMILESNC1(C2CCCCC2)CCCCC1.O=NO
InChIInChI=1S/C12H23N.HNO2/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1-3/h11H,1-10,13H2;(H,2,3)
InChIKeyAKWNPQUPULOIIN-UHFFFAOYSA-N
XLogP3.37
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.37
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 1-cyclohexylcyclohexan-1-amine;nitrous acid?
The IUPAC name of 1-cyclohexylcyclohexan-1-amine;nitrous acid (CID 157147588) is 1-cyclohexylcyclohexan-1-amine;nitrous acid.
What is the SMILES notation for 1-cyclohexylcyclohexan-1-amine;nitrous acid?
The canonical SMILES for 1-cyclohexylcyclohexan-1-amine;nitrous acid is NC1(C2CCCCC2)CCCCC1.O=NO.
What is the InChIKey of 1-cyclohexylcyclohexan-1-amine;nitrous acid?
The InChIKey is AKWNPQUPULOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.HNO2/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1-3/h11H,1-10,13H2;(H,2,3).
What are the key properties of 1-cyclohexylcyclohexan-1-amine;nitrous acid?
1-cyclohexylcyclohexan-1-amine;nitrous acid has a molecular weight of 228.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylcyclohexan-1-amine;nitrous acid is sourced from PubChem (CID 157147588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).