3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol

C15H33NO — CID 114176879

IUPAC3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
SMILESCCCCC(CC)CNC(CCO)C(C)(C)C
InChIInChI=1S/C15H33NO/c1-6-8-9-13(7-2)12-16-14(10-11-17)15(3,4)5/h13-14,16-17H,6-12H2,1-5H3
InChIKeyVGQFFIINNBOTLH-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.59
Rot. Bonds9

About 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol

3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol (PubChem CID 114176879) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
PubChem CID114176879
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
SMILESCCCCC(CC)CNC(CCO)C(C)(C)C
InChIInChI=1S/C15H33NO/c1-6-8-9-13(7-2)12-16-14(10-11-17)15(3,4)5/h13-14,16-17H,6-12H2,1-5H3
InChIKeyVGQFFIINNBOTLH-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
CID 55192880
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
1-(2-ethylhexyl)-2-(2,4,4-trimethylpentan-2-yl)hydrazine
CID 57014442
4-ethyltridecan-1-ol
CID 20550506

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol (CID 114176879) is 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol is CCCCC(CC)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is VGQFFIINNBOTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-8-9-13(7-2)12-16-14(10-11-17)15(3,4)5/h13-14,16-17H,6-12H2,1-5H3.
What are the key properties of 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol?
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114176879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).