4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol

C14H29NO2 — CID 66002465

IUPAC4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol
SMILESCC(O)(CCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)15-8-7-14(4,16)11-12-5-9-17-10-6-12/h12,15-16H,5-11H2,1-4H3
InChIKeyMXKCVBVGROTPOH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds5

About 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol

4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol (PubChem CID 66002465) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol
PubChem CID66002465
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol
SMILESCC(O)(CCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)15-8-7-14(4,16)11-12-5-9-17-10-6-12/h12,15-16H,5-11H2,1-4H3
InChIKeyMXKCVBVGROTPOH-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol (CID 66002465) is 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol is CC(O)(CCNC(C)(C)C)CC1CCOCC1.
What is the InChIKey of 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol?
The InChIKey is MXKCVBVGROTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)15-8-7-14(4,16)11-12-5-9-17-10-6-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol?
4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 66002465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).