2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol

C12H25NO3 — CID 64805051

IUPAC2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-10(2)13-12(3,8-14)9-15-7-11-5-4-6-16-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyOCKVQIMFTGZSOV-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds7

About 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64805051) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64805051
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-10(2)13-12(3,8-14)9-15-7-11-5-4-6-16-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyOCKVQIMFTGZSOV-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 64803380
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589
2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
2-methyl-4-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)pentanamide
CID 64706325
2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
CID 64999459
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
1-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
CID 66335337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64805051) is 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)COCC1CCCO1.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is OCKVQIMFTGZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)13-12(3,8-14)9-15-7-11-5-4-6-16-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64805051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).