N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine

C24H46N6 — CID 126580681

IUPACN-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCN(C[C@H]1CCN1)C(C)C1CC(C2CCN(C[C@@H]3CCN3)C2)N(C[C@H]2CCN2)C1
InChIInChI=1S/C24H46N6/c1-3-29(16-22-5-9-26-22)18(2)20-12-24(30(14-20)17-23-6-10-27-23)19-7-11-28(13-19)15-21-4-8-25-21/h18-27H,3-17H2,1-2H3/t18?,19?,20?,21-,22+,23+,24?/m0/s1
InChIKeyRPNWODOQSSAFOI-KXSLJDBGSA-N
MW418.67 g/mol
LogP0.79
Rot. Bonds10

About N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine

N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine (PubChem CID 126580681) has the molecular formula C24H46N6 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine
PubChem CID126580681
Molecular FormulaC24H46N6
Molecular Weight418.67 g/mol
Exact Mass418.38
IUPAC NameN-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCN(C[C@H]1CCN1)C(C)C1CC(C2CCN(C[C@@H]3CCN3)C2)N(C[C@H]2CCN2)C1
InChIInChI=1S/C24H46N6/c1-3-29(16-22-5-9-26-22)18(2)20-12-24(30(14-20)17-23-6-10-27-23)19-7-11-28(13-19)15-21-4-8-25-21/h18-27H,3-17H2,1-2H3/t18?,19?,20?,21-,22+,23+,24?/m0/s1
InChIKeyRPNWODOQSSAFOI-KXSLJDBGSA-N
XLogP0.79
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.67
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine?
The IUPAC name of N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine (CID 126580681) is N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine?
The canonical SMILES for N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine is CCN(C[C@H]1CCN1)C(C)C1CC(C2CCN(C[C@@H]3CCN3)C2)N(C[C@H]2CCN2)C1.
What is the InChIKey of N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine?
The InChIKey is RPNWODOQSSAFOI-KXSLJDBGSA-N. The full InChI is InChI=1S/C24H46N6/c1-3-29(16-22-5-9-26-22)18(2)20-12-24(30(14-20)17-23-6-10-27-23)19-7-11-28(13-19)15-21-4-8-25-21/h18-27H,3-17H2,1-2H3/t18?,19?,20?,21-,22+,23+,24?/m0/s1.
What are the key properties of N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine?
N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine has a molecular weight of 418.67 g/mol, XLogP of 0.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 126580681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).