1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol

C14H29NO2 — CID 170651597

IUPAC1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(O)C1CN(C(C)(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-13(2,3)9-11(16)12-10-15(7-8-17-12)14(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyMQVIUPGEQSSTSL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol

1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol (PubChem CID 170651597) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol
PubChem CID170651597
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(O)C1CN(C(C)(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-13(2,3)9-11(16)12-10-15(7-8-17-12)14(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyMQVIUPGEQSSTSL-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol (CID 170651597) is 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol is CC(C)(C)CC(O)C1CN(C(C)(C)C)CCO1.
What is the InChIKey of 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol?
The InChIKey is MQVIUPGEQSSTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)9-11(16)12-10-15(7-8-17-12)14(4,5)6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol?
1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylmorpholin-2-yl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 170651597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).