4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol

C13H25NO2 — CID 102648206

IUPAC4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-9-8-13(4,15)11-7-5-6-10-16-11/h7,14-15H,5-6,8-10H2,1-4H3
InChIKeyRQQNQUJYYAZWAP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds4

About 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol

4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol (PubChem CID 102648206) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
PubChem CID102648206
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C1=CCCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-9-8-13(4,15)11-7-5-6-10-16-11/h7,14-15H,5-6,8-10H2,1-4H3
InChIKeyRQQNQUJYYAZWAP-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
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-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol (CID 102648206) is 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol is CC(C)(C)NCCC(C)(O)C1=CCCCO1.
What is the InChIKey of 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
The InChIKey is RQQNQUJYYAZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)14-9-8-13(4,15)11-7-5-6-10-16-11/h7,14-15H,5-6,8-10H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol?
4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-6-yl)butan-2-ol is sourced from PubChem (CID 102648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).