[2-(propan-2-ylamino)oxolan-2-yl]methanol

C8H17NO2 — CID 146535477

IUPAC[2-(propan-2-ylamino)oxolan-2-yl]methanol
SMILESCC(C)NC1(CO)CCCO1
InChIInChI=1S/C8H17NO2/c1-7(2)9-8(6-10)4-3-5-11-8/h7,9-10H,3-6H2,1-2H3
InChIKeySMCRWXHDCHCODG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.48
Rot. Bonds3

About [2-(propan-2-ylamino)oxolan-2-yl]methanol

[2-(propan-2-ylamino)oxolan-2-yl]methanol (PubChem CID 146535477) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [2-(propan-2-ylamino)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(propan-2-ylamino)oxolan-2-yl]methanol
PubChem CID146535477
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[2-(propan-2-ylamino)oxolan-2-yl]methanol
SMILESCC(C)NC1(CO)CCCO1
InChIInChI=1S/C8H17NO2/c1-7(2)9-8(6-10)4-3-5-11-8/h7,9-10H,3-6H2,1-2H3
InChIKeySMCRWXHDCHCODG-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)oxolan-2-yl]methanol?
The IUPAC name of [2-(propan-2-ylamino)oxolan-2-yl]methanol (CID 146535477) is [2-(propan-2-ylamino)oxolan-2-yl]methanol.
What is the SMILES notation for [2-(propan-2-ylamino)oxolan-2-yl]methanol?
The canonical SMILES for [2-(propan-2-ylamino)oxolan-2-yl]methanol is CC(C)NC1(CO)CCCO1.
What is the InChIKey of [2-(propan-2-ylamino)oxolan-2-yl]methanol?
The InChIKey is SMCRWXHDCHCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)9-8(6-10)4-3-5-11-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of [2-(propan-2-ylamino)oxolan-2-yl]methanol?
[2-(propan-2-ylamino)oxolan-2-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)oxolan-2-yl]methanol is sourced from PubChem (CID 146535477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).