N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine

C11H25N3O — CID 118688740

IUPACN'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)(C)N1CCOC(CNCCN)C1
InChIInChI=1S/C11H25N3O/c1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12/h10,13H,4-9,12H2,1-3H3
InChIKeyOWIOANHKZNWWIW-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.03
Rot. Bonds4

About N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine

N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 118688740) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID118688740
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)(C)N1CCOC(CNCCN)C1
InChIInChI=1S/C11H25N3O/c1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12/h10,13H,4-9,12H2,1-3H3
InChIKeyOWIOANHKZNWWIW-UHFFFAOYSA-N
XLogP0.03
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 118688740) is N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine is CC(C)(C)N1CCOC(CNCCN)C1.
What is the InChIKey of N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OWIOANHKZNWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12/h10,13H,4-9,12H2,1-3H3.
What are the key properties of N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine?
N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 215.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 118688740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).