2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol

C11H23NO2 — CID 115705336

IUPAC2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
SMILESCCC(CO)NC(C)CC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-10(8-13)12-9(2)7-11-5-4-6-14-11/h9-13H,3-8H2,1-2H3
InChIKeyDMIBGCCDQBLRRE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds6

About 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol

2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol (PubChem CID 115705336) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
PubChem CID115705336
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
SMILESCCC(CO)NC(C)CC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-10(8-13)12-9(2)7-11-5-4-6-14-11/h9-13H,3-8H2,1-2H3
InChIKeyDMIBGCCDQBLRRE-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol?
The IUPAC name of 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol (CID 115705336) is 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol?
The canonical SMILES for 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol is CCC(CO)NC(C)CC1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol?
The InChIKey is DMIBGCCDQBLRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-10(8-13)12-9(2)7-11-5-4-6-14-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol?
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol is sourced from PubChem (CID 115705336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).