cyclohexa-2,4-diene-1,1-diamine;hydrochloride

C6H11ClN2 — CID 174393206

IUPACcyclohexa-2,4-diene-1,1-diamine;hydrochloride
SMILESCl.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.ClH/c7-6(8)4-2-1-3-5-6;/h1-4H,5,7-8H2;1H
InChIKeyKHBHDSCFZWKKKV-UHFFFAOYSA-N
MW146.62 g/mol
LogP0.54
Rot. Bonds

About cyclohexa-2,4-diene-1,1-diamine;hydrochloride

cyclohexa-2,4-diene-1,1-diamine;hydrochloride (PubChem CID 174393206) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1-diamine;hydrochloride.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1-diamine;hydrochloride
PubChem CID174393206
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Namecyclohexa-2,4-diene-1,1-diamine;hydrochloride
SMILESCl.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.ClH/c7-6(8)4-2-1-3-5-6;/h1-4H,5,7-8H2;1H
InChIKeyKHBHDSCFZWKKKV-UHFFFAOYSA-N
XLogP0.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1,1-diamine;hydrochloride?
The IUPAC name of cyclohexa-2,4-diene-1,1-diamine;hydrochloride (CID 174393206) is cyclohexa-2,4-diene-1,1-diamine;hydrochloride.
What is the SMILES notation for cyclohexa-2,4-diene-1,1-diamine;hydrochloride?
The canonical SMILES for cyclohexa-2,4-diene-1,1-diamine;hydrochloride is Cl.NC1(N)C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1,1-diamine;hydrochloride?
The InChIKey is KHBHDSCFZWKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c7-6(8)4-2-1-3-5-6;/h1-4H,5,7-8H2;1H.
What are the key properties of cyclohexa-2,4-diene-1,1-diamine;hydrochloride?
cyclohexa-2,4-diene-1,1-diamine;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1-diamine;hydrochloride is sourced from PubChem (CID 174393206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).