bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine

C19H35N5O2 — CID 11501486

IUPACbis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
SMILES[H]N=C(N1CCC[C@H]1CN1CCOCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C19H35N5O2/c20-19(23-5-1-3-17(23)15-21-7-11-25-12-8-21)24-6-2-4-18(24)16-22-9-13-26-14-10-22/h17-18,20H,1-16H2/t17-,18-/m0/s1
InChIKeyYLISSXANYRPOLU-ROUUACIJSA-N
MW365.52 g/mol
LogP0.51
Rot. Bonds4

About bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine

bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine (PubChem CID 11501486) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Namebis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
PubChem CID11501486
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Namebis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
SMILES[H]N=C(N1CCC[C@H]1CN1CCOCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C19H35N5O2/c20-19(23-5-1-3-17(23)15-21-7-11-25-12-8-21)24-6-2-4-18(24)16-22-9-13-26-14-10-22/h17-18,20H,1-16H2/t17-,18-/m0/s1
InChIKeyYLISSXANYRPOLU-ROUUACIJSA-N
XLogP0.51
TPSA55.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine (CID 11501486) is bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine is [H]N=C(N1CCC[C@H]1CN1CCOCC1)N1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is YLISSXANYRPOLU-ROUUACIJSA-N. The full InChI is InChI=1S/C19H35N5O2/c20-19(23-5-1-3-17(23)15-21-7-11-25-12-8-21)24-6-2-4-18(24)16-22-9-13-26-14-10-22/h17-18,20H,1-16H2/t17-,18-/m0/s1.
What are the key properties of bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 365.52 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 11501486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).