N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine

C12H26N2O2 — CID 112588697

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine
SMILESCC(C)(C)OCCNCCN1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(2,3)16-9-5-13-4-6-14-7-10-15-11-8-14/h13H,4-11H2,1-3H3
InChIKeyLTTNGAPXJZZIKY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds6

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine (PubChem CID 112588697) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine
PubChem CID112588697
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine
SMILESCC(C)(C)OCCNCCN1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(2,3)16-9-5-13-4-6-14-7-10-15-11-8-14/h13H,4-11H2,1-3H3
InChIKeyLTTNGAPXJZZIKY-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
CID 59303713
CID 59303713
N-(2-cyclohexyloxyethyl)-2-morpholin-4-ylethanamine
CID 55261263
4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
2-(2-methoxyethoxy)-2-methylpropane;N-(2-methoxyethyl)-2-methylpropan-2-amine;2-[(2-methylpropan-2-yl)oxy]ethanol;4-[3-[(2-methylpropan-2-yl)oxy]propyl]morpholine
CID 161268069
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
CID 114987350
4-chloro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 106121816
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine (CID 112588697) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine is CC(C)(C)OCCNCCN1CCOCC1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine?
The InChIKey is LTTNGAPXJZZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)16-9-5-13-4-6-14-7-10-15-11-8-14/h13H,4-11H2,1-3H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 112588697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).