N-butyl-1-morpholin-4-ylmethanimine

C9H18N2O — CID 523948

IUPACN-butyl-1-morpholin-4-ylmethanimine
SMILESCCCC/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-2-3-4-10-9-11-5-7-12-8-6-11/h9H,2-8H2,1H3/b10-9+
InChIKeyCUKKJGKBGYYVKR-MDZDMXLPSA-N
MW170.26 g/mol
LogP1.15
Rot. Bonds4

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

N-butyl-1-morpholin-4-ylmethanimine (PubChem CID 523948) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-butyl-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound NameN-butyl-1-morpholin-4-ylmethanimine
PubChem CID523948
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-butyl-1-morpholin-4-ylmethanimine
SMILESCCCC/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-2-3-4-10-9-11-5-7-12-8-6-11/h9H,2-8H2,1H3/b10-9+
InChIKeyCUKKJGKBGYYVKR-MDZDMXLPSA-N
XLogP1.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butyl-1-morpholin-4-ylmethanimine?
The IUPAC name of N-butyl-1-morpholin-4-ylmethanimine (CID 523948) is N-butyl-1-morpholin-4-ylmethanimine.
What is the SMILES notation for N-butyl-1-morpholin-4-ylmethanimine?
The canonical SMILES for N-butyl-1-morpholin-4-ylmethanimine is CCCC/N=C/N1CCOCC1.
What is the InChIKey of N-butyl-1-morpholin-4-ylmethanimine?
The InChIKey is CUKKJGKBGYYVKR-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-10-9-11-5-7-12-8-6-11/h9H,2-8H2,1H3/b10-9+.
What are the key properties of N-butyl-1-morpholin-4-ylmethanimine?
N-butyl-1-morpholin-4-ylmethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 523948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).