3-tert-butylmorpholine;methanamine

C9H22N2O — CID 144581691

IUPAC3-tert-butylmorpholine;methanamine
SMILESCC(C)(C)C1COCCN1.CN
InChIInChI=1S/C8H17NO.CH5N/c1-8(2,3)7-6-10-5-4-9-7;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyYPGHHCJQVOUZEU-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds

About 3-tert-butylmorpholine;methanamine

3-tert-butylmorpholine;methanamine (PubChem CID 144581691) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-tert-butylmorpholine;methanamine.

Molecular Properties

Compound Name3-tert-butylmorpholine;methanamine
PubChem CID144581691
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-tert-butylmorpholine;methanamine
SMILESCC(C)(C)C1COCCN1.CN
InChIInChI=1S/C8H17NO.CH5N/c1-8(2,3)7-6-10-5-4-9-7;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyYPGHHCJQVOUZEU-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylmorpholine;methanamine?
The IUPAC name of 3-tert-butylmorpholine;methanamine (CID 144581691) is 3-tert-butylmorpholine;methanamine.
What is the SMILES notation for 3-tert-butylmorpholine;methanamine?
The canonical SMILES for 3-tert-butylmorpholine;methanamine is CC(C)(C)C1COCCN1.CN.
What is the InChIKey of 3-tert-butylmorpholine;methanamine?
The InChIKey is YPGHHCJQVOUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH5N/c1-8(2,3)7-6-10-5-4-9-7;1-2/h7,9H,4-6H2,1-3H3;2H2,1H3.
What are the key properties of 3-tert-butylmorpholine;methanamine?
3-tert-butylmorpholine;methanamine has a molecular weight of 174.29 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylmorpholine;methanamine is sourced from PubChem (CID 144581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).