methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate

C14H29NO3 — CID 106115807

IUPACmethyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
SMILESCCCCC(NCC(CCC)CCO)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-4-6-8-13(14(17)18-3)15-11-12(7-5-2)9-10-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRZYHVIAJUXIFAH-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.11
Rot. Bonds11

About methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate

methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate (PubChem CID 106115807) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
PubChem CID106115807
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Namemethyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
SMILESCCCCC(NCC(CCC)CCO)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-4-6-8-13(14(17)18-3)15-11-12(7-5-2)9-10-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRZYHVIAJUXIFAH-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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-hydroxyethyl)pentylamino]butanoate
CID 106114890
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
CID 103255975
methyl 2-(propylamino)octanoate
CID 60795997
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate?
The IUPAC name of methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate (CID 106115807) is methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate is CCCCC(NCC(CCC)CCO)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate?
The InChIKey is RZYHVIAJUXIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-6-8-13(14(17)18-3)15-11-12(7-5-2)9-10-16/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate?
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate has a molecular weight of 259.39 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate is sourced from PubChem (CID 106115807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).