N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine

C13H25N3O — CID 168820001

IUPACN-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)(C)/N=C(\N1CCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-12(15-6-4-5-7-15)16-8-10-17-11-9-16/h4-11H2,1-3H3/b14-12+
InChIKeyBSWJAUJRYAMDPZ-WYMLVPIESA-N
MW239.36 g/mol
LogP1.57
Rot. Bonds

About N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine

N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine (PubChem CID 168820001) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
PubChem CID168820001
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)(C)/N=C(\N1CCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-12(15-6-4-5-7-15)16-8-10-17-11-9-16/h4-11H2,1-3H3/b14-12+
InChIKeyBSWJAUJRYAMDPZ-WYMLVPIESA-N
XLogP1.57
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine (CID 168820001) is N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine is CC(C)(C)/N=C(\N1CCCC1)N1CCOCC1.
What is the InChIKey of N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is BSWJAUJRYAMDPZ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)14-12(15-6-4-5-7-15)16-8-10-17-11-9-16/h4-11H2,1-3H3/b14-12+.
What are the key properties of N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 239.36 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 168820001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).