(3S)-N,N-diethylpyrrolidin-3-amine

C8H18N2 — CID 30722524

IUPAC(3S)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXHOADYKJSBCVBJ-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds3

About (3S)-N,N-diethylpyrrolidin-3-amine

(3S)-N,N-diethylpyrrolidin-3-amine (PubChem CID 30722524) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3S)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-diethylpyrrolidin-3-amine
PubChem CID30722524
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3S)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyXHOADYKJSBCVBJ-QMMMGPOBSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
N-ethyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 63299374
N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 63299689
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
CID 126846044
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-ethyl-N-(2-piperidin-1-ylethyl)pyrrolidin-3-amine
CID 63299869

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-diethylpyrrolidin-3-amine (CID 30722524) is (3S)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-diethylpyrrolidin-3-amine is CCN(CC)[C@H]1CCNC1.
What is the InChIKey of (3S)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is XHOADYKJSBCVBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-N,N-diethylpyrrolidin-3-amine?
(3S)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 30722524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).