cyclohexane-1,4-diamine;hydrochloride

C6H15ClN2 — CID 54599176

IUPACcyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(N)CC1
InChIInChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H
InChIKeyFAGAAPPIBHREAK-UHFFFAOYSA-N
MW150.65 g/mol
LogP0.64
Rot. Bonds

About cyclohexane-1,4-diamine;hydrochloride

cyclohexane-1,4-diamine;hydrochloride (PubChem CID 54599176) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;hydrochloride
PubChem CID54599176
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Namecyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(N)CC1
InChIInChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H
InChIKeyFAGAAPPIBHREAK-UHFFFAOYSA-N
XLogP0.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of cyclohexane-1,4-diamine;hydrochloride (CID 54599176) is cyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for cyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for cyclohexane-1,4-diamine;hydrochloride is Cl.NC1CCC(N)CC1.
What is the InChIKey of cyclohexane-1,4-diamine;hydrochloride?
The InChIKey is FAGAAPPIBHREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H.
What are the key properties of cyclohexane-1,4-diamine;hydrochloride?
cyclohexane-1,4-diamine;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 54599176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).