2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol

C13H29NO2 — CID 115920298

IUPAC2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol
SMILESCCCCC(COC)NC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-5-8-9-12(10-16-4)14-13(6-2,7-3)11-15/h12,14-15H,5-11H2,1-4H3
InChIKeyCMHKVXBKCLMGBN-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds10

About 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol

2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol (PubChem CID 115920298) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol
PubChem CID115920298
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol
SMILESCCCCC(COC)NC(CC)(CC)CO
InChIInChI=1S/C13H29NO2/c1-5-8-9-12(10-16-4)14-13(6-2,7-3)11-15/h12,14-15H,5-11H2,1-4H3
InChIKeyCMHKVXBKCLMGBN-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
2-(1-methoxyhexan-2-ylamino)-3-methylpentan-1-ol
CID 115891633
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
CID 115725096
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
3-(1-methoxyhexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723206
2-[(3-butoxy-2-hydroxypropyl)amino]-2-ethylpropane-1,3-diol
CID 107865217
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol (CID 115920298) is 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol is CCCCC(COC)NC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol?
The InChIKey is CMHKVXBKCLMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-8-9-12(10-16-4)14-13(6-2,7-3)11-15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol?
2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol is sourced from PubChem (CID 115920298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).