1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol

C13H29NO — CID 115756804

IUPAC1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
SMILESCCC(CC)CNCC(C)(O)C(C)CC
InChIInChI=1S/C13H29NO/c1-6-11(4)13(5,15)10-14-9-12(7-2)8-3/h11-12,14-15H,6-10H2,1-5H3
InChIKeyNWQSVLGNOWKIOP-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol

1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol (PubChem CID 115756804) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
PubChem CID115756804
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
SMILESCCC(CC)CNCC(C)(O)C(C)CC
InChIInChI=1S/C13H29NO/c1-6-11(4)13(5,15)10-14-9-12(7-2)8-3/h11-12,14-15H,6-10H2,1-5H3
InChIKeyNWQSVLGNOWKIOP-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
2,3-dimethyl-1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]pentan-2-ol
CID 110010568
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
CID 114493384
1-(2-hydroxy-2,3-dimethylpentyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509227
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol (CID 115756804) is 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol is CCC(CC)CNCC(C)(O)C(C)CC.
What is the InChIKey of 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol?
The InChIKey is NWQSVLGNOWKIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-11(4)13(5,15)10-14-9-12(7-2)8-3/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol?
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 115756804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).