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

C14H26N4O2 — CID 102182841

IUPACmorpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
SMILES[H]/N=C(\N1CCOCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C14H26N4O2/c15-14(17-6-10-20-11-7-17)18-3-1-2-13(18)12-16-4-8-19-9-5-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1
InChIKeyYWCVSDDQCQGLPP-NPIURYIMSA-N
MW282.39 g/mol
LogP0.05
Rot. Bonds2

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

morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine (PubChem CID 102182841) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
PubChem CID102182841
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Namemorpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
SMILES[H]/N=C(\N1CCOCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C14H26N4O2/c15-14(17-6-10-20-11-7-17)18-3-1-2-13(18)12-16-4-8-19-9-5-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1
InChIKeyYWCVSDDQCQGLPP-NPIURYIMSA-N
XLogP0.05
TPSA52.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine (CID 102182841) is morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine is [H]/N=C(\N1CCOCC1)N1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is YWCVSDDQCQGLPP-NPIURYIMSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-14(17-6-10-20-11-7-17)18-3-1-2-13(18)12-16-4-8-19-9-5-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine?
morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 282.39 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 102182841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).