1-ethylpyrrolidin-3-amine;dihydrochloride

C6H16Cl2N2 — CID 67449572

IUPAC1-ethylpyrrolidin-3-amine;dihydrochloride
SMILESCCN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-2-8-4-3-6(7)5-8;;/h6H,2-5,7H2,1H3;2*1H
InChIKeyMEPWCWGVVOIHJR-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.88
Rot. Bonds1

About 1-ethylpyrrolidin-3-amine;dihydrochloride

1-ethylpyrrolidin-3-amine;dihydrochloride (PubChem CID 67449572) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1-ethylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-ethylpyrrolidin-3-amine;dihydrochloride
PubChem CID67449572
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name1-ethylpyrrolidin-3-amine;dihydrochloride
SMILESCCN1CCC(N)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-2-8-4-3-6(7)5-8;;/h6H,2-5,7H2,1H3;2*1H
InChIKeyMEPWCWGVVOIHJR-UHFFFAOYSA-N
XLogP0.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-ethylpyrrolidin-3-amine;dihydrochloride (CID 67449572) is 1-ethylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-ethylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-ethylpyrrolidin-3-amine;dihydrochloride is CCN1CCC(N)C1.Cl.Cl.
What is the InChIKey of 1-ethylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is MEPWCWGVVOIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-2-8-4-3-6(7)5-8;;/h6H,2-5,7H2,1H3;2*1H.
What are the key properties of 1-ethylpyrrolidin-3-amine;dihydrochloride?
1-ethylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 67449572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).