N-cyclohexylcyclohexanamine;hydrochloride

C12H24ClN — CID 2793652

IUPACN-cyclohexylcyclohexanamine;hydrochloride
SMILESC1CCC(NC2CCCCC2)CC1.Cl
InChIInChI=1S/C12H23N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-13H,1-10H2;1H
InChIKeyMNNMTFSPSVOWSF-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.66
Rot. Bonds2

About N-cyclohexylcyclohexanamine;hydrochloride

N-cyclohexylcyclohexanamine;hydrochloride (PubChem CID 2793652) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;hydrochloride
PubChem CID2793652
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC NameN-cyclohexylcyclohexanamine;hydrochloride
SMILESC1CCC(NC2CCCCC2)CC1.Cl
InChIInChI=1S/C12H23N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-13H,1-10H2;1H
InChIKeyMNNMTFSPSVOWSF-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;hydrochloride?
The IUPAC name of N-cyclohexylcyclohexanamine;hydrochloride (CID 2793652) is N-cyclohexylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-cyclohexylcyclohexanamine;hydrochloride?
The canonical SMILES for N-cyclohexylcyclohexanamine;hydrochloride is C1CCC(NC2CCCCC2)CC1.Cl.
What is the InChIKey of N-cyclohexylcyclohexanamine;hydrochloride?
The InChIKey is MNNMTFSPSVOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-13H,1-10H2;1H.
What are the key properties of N-cyclohexylcyclohexanamine;hydrochloride?
N-cyclohexylcyclohexanamine;hydrochloride has a molecular weight of 217.78 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;hydrochloride is sourced from PubChem (CID 2793652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).