3-[(propan-2-ylamino)methyl]oxolan-3-ol

C8H17NO2 — CID 63333474

IUPAC3-[(propan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(C)NCC1(O)CCOC1
InChIInChI=1S/C8H17NO2/c1-7(2)9-5-8(10)3-4-11-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyYMWAUJPVVYPRRO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]oxolan-3-ol

3-[(propan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 63333474) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]oxolan-3-ol
PubChem CID63333474
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-[(propan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(C)NCC1(O)CCOC1
InChIInChI=1S/C8H17NO2/c1-7(2)9-5-8(10)3-4-11-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyYMWAUJPVVYPRRO-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(propan-2-ylamino)methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]oxolan-3-ol (CID 63333474) is 3-[(propan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]oxolan-3-ol is CC(C)NCC1(O)CCOC1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is YMWAUJPVVYPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)9-5-8(10)3-4-11-6-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]oxolan-3-ol?
3-[(propan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 63333474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).