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

C13H27NO3 — CID 61050169

IUPAC4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCC1CCCO1
InChIInChI=1S/C13H27NO3/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h11,14-15H,5-10H2,1-4H3
InChIKeyNAIKEXKDXBMSQV-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.32
Rot. Bonds7

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

4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol (PubChem CID 61050169) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
PubChem CID61050169
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCC1CCCO1
InChIInChI=1S/C13H27NO3/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h11,14-15H,5-10H2,1-4H3
InChIKeyNAIKEXKDXBMSQV-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol (CID 61050169) is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol is COC(C)(C)CC(C)(CO)NCC1CCCO1.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
The InChIKey is NAIKEXKDXBMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol?
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 61050169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).