(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride

C6H16Cl2N2 — CID 53482061

IUPAC(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@H]1CCNC1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKeyLCPKWRSLMCUOOZ-ILKKLZGPSA-N
MW187.11 g/mol
LogP0.75
Rot. Bonds1

About (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride

(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride (PubChem CID 53482061) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
PubChem CID53482061
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@H]1CCNC1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKeyLCPKWRSLMCUOOZ-ILKKLZGPSA-N
XLogP0.75
TPSA15.27 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride (CID 53482061) is (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride is CN(C)[C@H]1CCNC1.Cl.Cl.
What is the InChIKey of (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is LCPKWRSLMCUOOZ-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1.
What are the key properties of (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
(3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 53482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).