2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol

C12H25NO2 — CID 61049371

IUPAC2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCC(C)CC(C)(CO)NCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-10(2)7-12(3,9-14)13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyXNARLUVRLMGNIM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol

2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol (PubChem CID 61049371) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
PubChem CID61049371
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCC(C)CC(C)(CO)NCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-10(2)7-12(3,9-14)13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyXNARLUVRLMGNIM-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol (CID 61049371) is 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol is CC(C)CC(C)(CO)NCC1CCCO1.
What is the InChIKey of 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The InChIKey is XNARLUVRLMGNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-12(3,9-14)13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 61049371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).