2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol

C11H25NO3 — CID 123378505

IUPAC2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol
SMILESCCNCC(O)(CO)CC(C)(CC)OC
InChIInChI=1S/C11H25NO3/c1-5-10(3,15-4)7-11(14,9-13)8-12-6-2/h12-14H,5-9H2,1-4H3
InChIKeyJYJQOEDPDOWWCT-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.52
Rot. Bonds8

About 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol

2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol (PubChem CID 123378505) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol
PubChem CID123378505
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol
SMILESCCNCC(O)(CO)CC(C)(CC)OC
InChIInChI=1S/C11H25NO3/c1-5-10(3,15-4)7-11(14,9-13)8-12-6-2/h12-14H,5-9H2,1-4H3
InChIKeyJYJQOEDPDOWWCT-UHFFFAOYSA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol?
The IUPAC name of 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol (CID 123378505) is 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol?
The canonical SMILES for 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol is CCNCC(O)(CO)CC(C)(CC)OC.
What is the InChIKey of 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol?
The InChIKey is JYJQOEDPDOWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-10(3,15-4)7-11(14,9-13)8-12-6-2/h12-14H,5-9H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol?
2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol has a molecular weight of 219.32 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol is sourced from PubChem (CID 123378505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).