(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine

C9H20N2 — CID 103934506

IUPAC(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
SMILESCCC1CCCN1C[C@H](C)N
InChIInChI=1S/C9H20N2/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7,10H2,1-2H3/t8-,9?/m0/s1
InChIKeyCPMOSGHENLHPAW-IENPIDJESA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds3

About (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine

(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine (PubChem CID 103934506) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
PubChem CID103934506
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
SMILESCCC1CCCN1C[C@H](C)N
InChIInChI=1S/C9H20N2/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7,10H2,1-2H3/t8-,9?/m0/s1
InChIKeyCPMOSGHENLHPAW-IENPIDJESA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine (CID 103934506) is (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine is CCC1CCCN1C[C@H](C)N.
What is the InChIKey of (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine?
The InChIKey is CPMOSGHENLHPAW-IENPIDJESA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7,10H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine?
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 103934506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).