2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine

C10H20N2O — CID 63175350

IUPAC2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(/N1CCOCC1C)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8-7-13-6-5-12(8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyMNPADZVQPYVLNB-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.73
Rot. Bonds

About 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine

2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine (PubChem CID 63175350) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine
PubChem CID63175350
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(/N1CCOCC1C)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8-7-13-6-5-12(8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyMNPADZVQPYVLNB-PKNBQFBNSA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine (CID 63175350) is 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine is [H]/N=C(/N1CCOCC1C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine?
The InChIKey is MNPADZVQPYVLNB-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-7-13-6-5-12(8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine?
2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine has a molecular weight of 184.28 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylmorpholin-4-yl)propan-1-imine is sourced from PubChem (CID 63175350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).