ethanamine;dihydrochloride

C4H16Cl2N2 — CID 173015801

IUPACethanamine;dihydrochloride
SMILESCCN.CCN.Cl.Cl
InChIInChI=1S/2C2H7N.2ClH/c2*1-2-3;;/h2*2-3H2,1H3;2*1H
InChIKeyNTCSRHZQBIYVMC-UHFFFAOYSA-N
MW163.09 g/mol
LogP0.77
Rot. Bonds

About ethanamine;dihydrochloride

ethanamine;dihydrochloride (PubChem CID 173015801) has the molecular formula C4H16Cl2N2 and a molecular weight of 163.09 g/mol. Its IUPAC name is ethanamine;dihydrochloride.

Molecular Properties

Compound Nameethanamine;dihydrochloride
PubChem CID173015801
Molecular FormulaC4H16Cl2N2
Molecular Weight163.09 g/mol
Exact Mass162.07
IUPAC Nameethanamine;dihydrochloride
SMILESCCN.CCN.Cl.Cl
InChIInChI=1S/2C2H7N.2ClH/c2*1-2-3;;/h2*2-3H2,1H3;2*1H
InChIKeyNTCSRHZQBIYVMC-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;dihydrochloride?
The IUPAC name of ethanamine;dihydrochloride (CID 173015801) is ethanamine;dihydrochloride.
What is the SMILES notation for ethanamine;dihydrochloride?
The canonical SMILES for ethanamine;dihydrochloride is CCN.CCN.Cl.Cl.
What is the InChIKey of ethanamine;dihydrochloride?
The InChIKey is NTCSRHZQBIYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7N.2ClH/c2*1-2-3;;/h2*2-3H2,1H3;2*1H.
What are the key properties of ethanamine;dihydrochloride?
ethanamine;dihydrochloride has a molecular weight of 163.09 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;dihydrochloride is sourced from PubChem (CID 173015801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).