(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine

C8H18N2 — CID 10034728

IUPAC(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
SMILESCCN[C@@H](C)[C@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-3-10-7(2)8-4-5-9-6-8/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYAXNZIHOGOMMCQ-YUMQZZPRSA-N
MW142.25 g/mol
LogP0.59
Rot. Bonds3

About (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine

(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine (PubChem CID 10034728) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
PubChem CID10034728
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
SMILESCCN[C@@H](C)[C@H]1CCNC1
InChIInChI=1S/C8H18N2/c1-3-10-7(2)8-4-5-9-6-8/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYAXNZIHOGOMMCQ-YUMQZZPRSA-N
XLogP0.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The IUPAC name of (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine (CID 10034728) is (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The canonical SMILES for (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine is CCN[C@@H](C)[C@H]1CCNC1.
What is the InChIKey of (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The InChIKey is YAXNZIHOGOMMCQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10-7(2)8-4-5-9-6-8/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 10034728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).