methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate

C14H29NO3 — CID 106149126

IUPACmethyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
SMILESCCCCC(NCC(C)(C)CCCO)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-5-6-8-12(13(17)18-4)15-11-14(2,3)9-7-10-16/h12,15-16H,5-11H2,1-4H3
InChIKeyVUOQNEUOXXQMLW-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.11
Rot. Bonds10

About methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate

methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate (PubChem CID 106149126) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
PubChem CID106149126
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Namemethyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
SMILESCCCCC(NCC(C)(C)CCCO)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-5-6-8-12(13(17)18-4)15-11-14(2,3)9-7-10-16/h12,15-16H,5-11H2,1-4H3
InChIKeyVUOQNEUOXXQMLW-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
CID 103255975
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
CID 106294368
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
CID 106115807
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate?
The IUPAC name of methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate (CID 106149126) is methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate is CCCCC(NCC(C)(C)CCCO)C(=O)OC.
What is the InChIKey of methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate?
The InChIKey is VUOQNEUOXXQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-6-8-12(13(17)18-4)15-11-14(2,3)9-7-10-16/h12,15-16H,5-11H2,1-4H3.
What are the key properties of methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate?
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate has a molecular weight of 259.39 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate is sourced from PubChem (CID 106149126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).