3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol

C12H25NO2 — CID 165376861

IUPAC3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol
SMILESCC(C)(C)NC(CCO)C1CCOCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-11(4-7-14)10-5-8-15-9-6-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeySCPFUULIBCCBKY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol

3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol (PubChem CID 165376861) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol
PubChem CID165376861
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol
SMILESCC(C)(C)NC(CCO)C1CCOCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-11(4-7-14)10-5-8-15-9-6-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeySCPFUULIBCCBKY-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol (CID 165376861) is 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol is CC(C)(C)NC(CCO)C1CCOCC1.
What is the InChIKey of 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol?
The InChIKey is SCPFUULIBCCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)13-11(4-7-14)10-5-8-15-9-6-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol?
3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-3-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 165376861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).