[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol

C12H27NO2 — CID 144560353

IUPAC[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol
SMILESCCCCN(CC)C(O)OC(C)(C)CC
InChIInChI=1S/C12H27NO2/c1-6-9-10-13(8-3)11(14)15-12(4,5)7-2/h11,14H,6-10H2,1-5H3
InChIKeyLJVUXAOLEBGQMK-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.59
Rot. Bonds8

About [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol

[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol (PubChem CID 144560353) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol.

Molecular Properties

Compound Name[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol
PubChem CID144560353
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol
SMILESCCCCN(CC)C(O)OC(C)(C)CC
InChIInChI=1S/C12H27NO2/c1-6-9-10-13(8-3)11(14)15-12(4,5)7-2/h11,14H,6-10H2,1-5H3
InChIKeyLJVUXAOLEBGQMK-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
CID 64798812
(3S)-2-[butyl(2,2-dihydroxyethyl)amino]butane-1,3-diol
CID 130199633
3-[butyl(ethyl)amino]-5-hydroperoxyhexan-2-ol
CID 143476144
1-(dibutylamino)butan-1-ol
CID 19802147
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008

Frequently Asked Questions

What is the IUPAC name of [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol?
The IUPAC name of [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol (CID 144560353) is [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol.
What is the SMILES notation for [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol?
The canonical SMILES for [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol is CCCCN(CC)C(O)OC(C)(C)CC.
What is the InChIKey of [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol?
The InChIKey is LJVUXAOLEBGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-9-10-13(8-3)11(14)15-12(4,5)7-2/h11,14H,6-10H2,1-5H3.
What are the key properties of [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol?
[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol has a molecular weight of 217.35 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol is sourced from PubChem (CID 144560353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).