1-N'-cyclohexylethane-1,1-diamine;dihydrochloride

C8H20Cl2N2 — CID 21332758

IUPAC1-N'-cyclohexylethane-1,1-diamine;dihydrochloride
SMILESCC(N)NC1CCCCC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h7-8,10H,2-6,9H2,1H3;2*1H
InChIKeyOGOLBZAIALZCMM-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.06
Rot. Bonds2

About 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride

1-N'-cyclohexylethane-1,1-diamine;dihydrochloride (PubChem CID 21332758) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N'-cyclohexylethane-1,1-diamine;dihydrochloride
PubChem CID21332758
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name1-N'-cyclohexylethane-1,1-diamine;dihydrochloride
SMILESCC(N)NC1CCCCC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h7-8,10H,2-6,9H2,1H3;2*1H
InChIKeyOGOLBZAIALZCMM-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.06
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 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride?
The IUPAC name of 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride (CID 21332758) is 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride.
What is the SMILES notation for 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride?
The canonical SMILES for 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride is CC(N)NC1CCCCC1.Cl.Cl.
What is the InChIKey of 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride?
The InChIKey is OGOLBZAIALZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h7-8,10H,2-6,9H2,1H3;2*1H.
What are the key properties of 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride?
1-N'-cyclohexylethane-1,1-diamine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohexylethane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 21332758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).