N-(2-methylpropyl)-1-morpholin-4-ylmethanimine

C9H18N2O — CID 523951

IUPACN-(2-methylpropyl)-1-morpholin-4-ylmethanimine
SMILESCC(C)C/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2)7-10-8-11-3-5-12-6-4-11/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyVCWCYGRDZZNLPC-CSKARUKUSA-N
MW170.26 g/mol
LogP1.00
Rot. Bonds3

About N-(2-methylpropyl)-1-morpholin-4-ylmethanimine

N-(2-methylpropyl)-1-morpholin-4-ylmethanimine (PubChem CID 523951) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-morpholin-4-ylmethanimine
PubChem CID523951
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(2-methylpropyl)-1-morpholin-4-ylmethanimine
SMILESCC(C)C/N=C/N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2)7-10-8-11-3-5-12-6-4-11/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyVCWCYGRDZZNLPC-CSKARUKUSA-N
XLogP1.00
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.00
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-(2-methylpropyl)-1-morpholin-4-ylmethanimine?
The IUPAC name of N-(2-methylpropyl)-1-morpholin-4-ylmethanimine (CID 523951) is N-(2-methylpropyl)-1-morpholin-4-ylmethanimine.
What is the SMILES notation for N-(2-methylpropyl)-1-morpholin-4-ylmethanimine?
The canonical SMILES for N-(2-methylpropyl)-1-morpholin-4-ylmethanimine is CC(C)C/N=C/N1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-1-morpholin-4-ylmethanimine?
The InChIKey is VCWCYGRDZZNLPC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)7-10-8-11-3-5-12-6-4-11/h8-9H,3-7H2,1-2H3/b10-8+.
What are the key properties of N-(2-methylpropyl)-1-morpholin-4-ylmethanimine?
N-(2-methylpropyl)-1-morpholin-4-ylmethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 523951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).