(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine

C6H15N2+ — CID 28742930

IUPAC(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine
SMILESCN(C)[C@@H]1CC[NH2+]C1
InChIInChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyAVAWMINJNRAQFS-ZCFIWIBFSA-O
MW115.20 g/mol
LogP-1.12
Rot. Bonds1

About (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine

(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine (PubChem CID 28742930) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine
PubChem CID28742930
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine
SMILESCN(C)[C@@H]1CC[NH2+]C1
InChIInChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyAVAWMINJNRAQFS-ZCFIWIBFSA-O
XLogP-1.12
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159051583
(3S)-3-methylpiperidin-1-ium
CID 6994394
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CID 165024286
2-methylpiperazin-4-ium
CID 102493129
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CID 175142686
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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine?
The IUPAC name of (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine (CID 28742930) is (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine.
What is the SMILES notation for (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine?
The canonical SMILES for (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine is CN(C)[C@@H]1CC[NH2+]C1.
What is the InChIKey of (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine?
The InChIKey is AVAWMINJNRAQFS-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/p+1/t6-/m1/s1.
What are the key properties of (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine?
(3R)-N,N-dimethylpyrrolidin-1-ium-3-amine has a molecular weight of 115.20 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethylpyrrolidin-1-ium-3-amine is sourced from PubChem (CID 28742930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).