azane;4-cyclohexyloxan-3-amine;hydrochloride

C11H25ClN2O — CID 67358979

IUPACazane;4-cyclohexyloxan-3-amine;hydrochloride
SMILESCl.N.NC1COCCC1C1CCCCC1
InChIInChI=1S/C11H21NO.ClH.H3N/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9;;/h9-11H,1-8,12H2;1H;1H3
InChIKeyAUERLEDQWJZVFZ-UHFFFAOYSA-N
MW236.79 g/mol
LogP2.51
Rot. Bonds1

About azane;4-cyclohexyloxan-3-amine;hydrochloride

azane;4-cyclohexyloxan-3-amine;hydrochloride (PubChem CID 67358979) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is azane;4-cyclohexyloxan-3-amine;hydrochloride.

Molecular Properties

Compound Nameazane;4-cyclohexyloxan-3-amine;hydrochloride
PubChem CID67358979
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Nameazane;4-cyclohexyloxan-3-amine;hydrochloride
SMILESCl.N.NC1COCCC1C1CCCCC1
InChIInChI=1S/C11H21NO.ClH.H3N/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9;;/h9-11H,1-8,12H2;1H;1H3
InChIKeyAUERLEDQWJZVFZ-UHFFFAOYSA-N
XLogP2.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4-cyclohexyloxan-3-amine;hydrochloride?
The IUPAC name of azane;4-cyclohexyloxan-3-amine;hydrochloride (CID 67358979) is azane;4-cyclohexyloxan-3-amine;hydrochloride.
What is the SMILES notation for azane;4-cyclohexyloxan-3-amine;hydrochloride?
The canonical SMILES for azane;4-cyclohexyloxan-3-amine;hydrochloride is Cl.N.NC1COCCC1C1CCCCC1.
What is the InChIKey of azane;4-cyclohexyloxan-3-amine;hydrochloride?
The InChIKey is AUERLEDQWJZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH.H3N/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9;;/h9-11H,1-8,12H2;1H;1H3.
What are the key properties of azane;4-cyclohexyloxan-3-amine;hydrochloride?
azane;4-cyclohexyloxan-3-amine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-cyclohexyloxan-3-amine;hydrochloride is sourced from PubChem (CID 67358979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).