N,N-diethylpyrrolidin-1-ium-3-amine

C8H19N2+ — CID 142960286

IUPACN,N-diethylpyrrolidin-1-ium-3-amine
SMILESCCN(CC)C1CC[NH2+]C1
InChIInChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/p+1
InChIKeyXHOADYKJSBCVBJ-UHFFFAOYSA-O
MW143.25 g/mol
LogP-0.34
Rot. Bonds3

About N,N-diethylpyrrolidin-1-ium-3-amine

N,N-diethylpyrrolidin-1-ium-3-amine (PubChem CID 142960286) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is N,N-diethylpyrrolidin-1-ium-3-amine.

Molecular Properties

Compound NameN,N-diethylpyrrolidin-1-ium-3-amine
PubChem CID142960286
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC NameN,N-diethylpyrrolidin-1-ium-3-amine
SMILESCCN(CC)C1CC[NH2+]C1
InChIInChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/p+1
InChIKeyXHOADYKJSBCVBJ-UHFFFAOYSA-O
XLogP-0.34
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpyrrolidin-1-ium-3-amine?
The IUPAC name of N,N-diethylpyrrolidin-1-ium-3-amine (CID 142960286) is N,N-diethylpyrrolidin-1-ium-3-amine.
What is the SMILES notation for N,N-diethylpyrrolidin-1-ium-3-amine?
The canonical SMILES for N,N-diethylpyrrolidin-1-ium-3-amine is CCN(CC)C1CC[NH2+]C1.
What is the InChIKey of N,N-diethylpyrrolidin-1-ium-3-amine?
The InChIKey is XHOADYKJSBCVBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/p+1.
What are the key properties of N,N-diethylpyrrolidin-1-ium-3-amine?
N,N-diethylpyrrolidin-1-ium-3-amine has a molecular weight of 143.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpyrrolidin-1-ium-3-amine is sourced from PubChem (CID 142960286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).