methyl 2-[(3-ethylcyclohexyl)amino]hexanoate

C15H29NO2 — CID 103253767

IUPACmethyl 2-[(3-ethylcyclohexyl)amino]hexanoate
SMILESCCCCC(NC1CCCC(CC)C1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-6-10-14(15(17)18-3)16-13-9-7-8-12(5-2)11-13/h12-14,16H,4-11H2,1-3H3
InChIKeyFQKSTUVNDIJDKK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds7

About methyl 2-[(3-ethylcyclohexyl)amino]hexanoate

methyl 2-[(3-ethylcyclohexyl)amino]hexanoate (PubChem CID 103253767) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-[(3-ethylcyclohexyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylcyclohexyl)amino]hexanoate
PubChem CID103253767
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-[(3-ethylcyclohexyl)amino]hexanoate
SMILESCCCCC(NC1CCCC(CC)C1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-6-10-14(15(17)18-3)16-13-9-7-8-12(5-2)11-13/h12-14,16H,4-11H2,1-3H3
InChIKeyFQKSTUVNDIJDKK-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
2-amino-N-(3-ethylcyclohexyl)-3-methoxypropanamide;hydrochloride
CID 120990597
methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
CID 114121731
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
CID 103254067
methyl 2-(cycloheptylamino)-5-methylsulfanylpentanoate
CID 103089357
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylcyclohexyl)amino]hexanoate?
The IUPAC name of methyl 2-[(3-ethylcyclohexyl)amino]hexanoate (CID 103253767) is methyl 2-[(3-ethylcyclohexyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(3-ethylcyclohexyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(3-ethylcyclohexyl)amino]hexanoate is CCCCC(NC1CCCC(CC)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethylcyclohexyl)amino]hexanoate?
The InChIKey is FQKSTUVNDIJDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-10-14(15(17)18-3)16-13-9-7-8-12(5-2)11-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of methyl 2-[(3-ethylcyclohexyl)amino]hexanoate?
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylcyclohexyl)amino]hexanoate is sourced from PubChem (CID 103253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).