1-(2,2-dimethylmorpholin-4-yl)butan-1-imine

C10H20N2O — CID 63176048

IUPAC1-(2,2-dimethylmorpholin-4-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCOC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)12-6-7-13-10(2,3)8-12/h11H,4-8H2,1-3H3/b11-9+
InChIKeyHGFJJFJTXNOWKN-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine

1-(2,2-dimethylmorpholin-4-yl)butan-1-imine (PubChem CID 63176048) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)butan-1-imine
PubChem CID63176048
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCOC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)12-6-7-13-10(2,3)8-12/h11H,4-8H2,1-3H3/b11-9+
InChIKeyHGFJJFJTXNOWKN-PKNBQFBNSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
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 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine (CID 63176048) is 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine is [H]/N=C(\CCC)N1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine?
The InChIKey is HGFJJFJTXNOWKN-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(11)12-6-7-13-10(2,3)8-12/h11H,4-8H2,1-3H3/b11-9+.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine?
1-(2,2-dimethylmorpholin-4-yl)butan-1-imine has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)butan-1-imine is sourced from PubChem (CID 63176048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).