1,3-dimethylpyrrolidin-3-amine;dihydrochloride

C6H16Cl2N2 — CID 126796921

IUPAC1,3-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CCC(C)(N)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-6(7)3-4-8(2)5-6;;/h3-5,7H2,1-2H3;2*1H
InChIKeyBXBPLQGEHUTZQB-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.88
Rot. Bonds

About 1,3-dimethylpyrrolidin-3-amine;dihydrochloride

1,3-dimethylpyrrolidin-3-amine;dihydrochloride (PubChem CID 126796921) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethylpyrrolidin-3-amine;dihydrochloride
PubChem CID126796921
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name1,3-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CCC(C)(N)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-6(7)3-4-8(2)5-6;;/h3-5,7H2,1-2H3;2*1H
InChIKeyBXBPLQGEHUTZQB-UHFFFAOYSA-N
XLogP0.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 1,3-dimethylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1,3-dimethylpyrrolidin-3-amine;dihydrochloride (CID 126796921) is 1,3-dimethylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1,3-dimethylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1,3-dimethylpyrrolidin-3-amine;dihydrochloride is CN1CCC(C)(N)C1.Cl.Cl.
What is the InChIKey of 1,3-dimethylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is BXBPLQGEHUTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-6(7)3-4-8(2)5-6;;/h3-5,7H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethylpyrrolidin-3-amine;dihydrochloride?
1,3-dimethylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 126796921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).