1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H27NO3 — CID 114113575

IUPAC1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1(NCC(O)COC(C)(C)C)CCCOC1
InChIInChI=1S/C13H27NO3/c1-12(2,3)17-9-11(15)8-14-13(4)6-5-7-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyYSRLQTXMMHFZHE-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.32
Rot. Bonds5

About 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 114113575) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID114113575
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1(NCC(O)COC(C)(C)C)CCCOC1
InChIInChI=1S/C13H27NO3/c1-12(2,3)17-9-11(15)8-14-13(4)6-5-7-16-10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyYSRLQTXMMHFZHE-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 114113575) is 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC1(NCC(O)COC(C)(C)C)CCCOC1.
What is the InChIKey of 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is YSRLQTXMMHFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(2,3)17-9-11(15)8-14-13(4)6-5-7-16-10-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 114113575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).