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

C9H18N2O — CID 58320199

IUPACN-tert-butyl-1-morpholin-4-ylmethanimine
SMILESCC(C)(C)/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)10-8-11-4-6-12-7-5-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyGUGSEPXKEWJIAB-CSKARUKUSA-N
MW170.26 g/mol
LogP1.15
Rot. Bonds1

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

N-tert-butyl-1-morpholin-4-ylmethanimine (PubChem CID 58320199) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-tert-butyl-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-morpholin-4-ylmethanimine
PubChem CID58320199
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-tert-butyl-1-morpholin-4-ylmethanimine
SMILESCC(C)(C)/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)10-8-11-4-6-12-7-5-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyGUGSEPXKEWJIAB-CSKARUKUSA-N
XLogP1.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.15
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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Related Compounds

N,N-dimethyl-N'-(2-morpholinoethyl)formamidine
CID 380200
N-tert-butyl-1-morpholin-4-ylethanimine
CID 330659
Methanimine, 1-(4-morpholino), N-hexyl
CID 523950
butyl N-tert-butylmorpholine-4-carboximidoselenoate
CID 139239921
(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium
CID 139239961
Methanimine, 1-(4-morpholino), N-butyl
CID 523948
Methanimine, 1-(4-morpholino), N-isobutyl
CID 523951
Methanimine, 1-(4-morpholino), N-pentyl
CID 523952
Methanimine, 1-(4-morpholino)-N-propyl
CID 523955
N-methyl-1-morpholin-4-ylmethanimine
CID 57536775
Dimethyl(morpholin-4-ylmethylidene)azanium
CID 89393357
N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 118603016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-morpholin-4-ylmethanimine?
The IUPAC name of N-tert-butyl-1-morpholin-4-ylmethanimine (CID 58320199) is N-tert-butyl-1-morpholin-4-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1-morpholin-4-ylmethanimine?
The canonical SMILES for N-tert-butyl-1-morpholin-4-ylmethanimine is CC(C)(C)/N=C/N1CCOCC1.
What is the InChIKey of N-tert-butyl-1-morpholin-4-ylmethanimine?
The InChIKey is GUGSEPXKEWJIAB-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)10-8-11-4-6-12-7-5-11/h8H,4-7H2,1-3H3/b10-8+.
What are the key properties of N-tert-butyl-1-morpholin-4-ylmethanimine?
N-tert-butyl-1-morpholin-4-ylmethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.15, 1 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-ylmethanimine is sourced from PubChem (CID 58320199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).