1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine

C18H47N5O3 — CID 174878886

IUPAC1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine
SMILESCC(C)(N)COCC(C)(C)N.CCN1CCOCC1.CN(C)CCO.N
InChIInChI=1S/C8H20N2O.C6H13NO.C4H11NO.H3N/c1-7(2,9)5-11-6-8(3,4)10;1-2-7-3-5-8-6-4-7;1-5(2)3-4-6;/h5-6,9-10H2,1-4H3;2-6H2,1H3;6H,3-4H2,1-2H3;1H3
InChIKeyAPZRRVOKKCZMHL-UHFFFAOYSA-N
MW381.61 g/mol
LogP0.52
Rot. Bonds7

About 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine

1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine (PubChem CID 174878886) has the molecular formula C18H47N5O3 and a molecular weight of 381.61 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine.

Molecular Properties

Compound Name1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine
PubChem CID174878886
Molecular FormulaC18H47N5O3
Molecular Weight381.61 g/mol
Exact Mass381.37
IUPAC Name1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine
SMILESCC(C)(N)COCC(C)(C)N.CCN1CCOCC1.CN(C)CCO.N
InChIInChI=1S/C8H20N2O.C6H13NO.C4H11NO.H3N/c1-7(2,9)5-11-6-8(3,4)10;1-2-7-3-5-8-6-4-7;1-5(2)3-4-6;/h5-6,9-10H2,1-4H3;2-6H2,1H3;6H,3-4H2,1-2H3;1H3
InChIKeyAPZRRVOKKCZMHL-UHFFFAOYSA-N
XLogP0.52
TPSA132.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine?
The IUPAC name of 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine (CID 174878886) is 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine.
What is the SMILES notation for 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine?
The canonical SMILES for 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine is CC(C)(N)COCC(C)(C)N.CCN1CCOCC1.CN(C)CCO.N.
What is the InChIKey of 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine?
The InChIKey is APZRRVOKKCZMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O.C6H13NO.C4H11NO.H3N/c1-7(2,9)5-11-6-8(3,4)10;1-2-7-3-5-8-6-4-7;1-5(2)3-4-6;/h5-6,9-10H2,1-4H3;2-6H2,1H3;6H,3-4H2,1-2H3;1H3.
What are the key properties of 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine?
1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine has a molecular weight of 381.61 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropoxy)-2-methylpropan-2-amine;azane;2-(dimethylamino)ethanol;4-ethylmorpholine is sourced from PubChem (CID 174878886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).