methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate

C15H29NO2 — CID 103254067

IUPACmethyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
SMILESCCCCC(NC1CCC(CC)C1C)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-5-7-8-14(15(17)18-4)16-13-10-9-12(6-2)11(13)3/h11-14,16H,5-10H2,1-4H3
InChIKeyRHTPAEIQVDBDFH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds7

About methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate

methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate (PubChem CID 103254067) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
PubChem CID103254067
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
SMILESCCCCC(NC1CCC(CC)C1C)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-5-7-8-14(15(17)18-4)16-13-10-9-12(6-2)11(13)3/h11-14,16H,5-10H2,1-4H3
InChIKeyRHTPAEIQVDBDFH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 103254073
methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
CID 114121731
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
ethyl 3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylpropanoate
CID 64921594
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 64920601
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate?
The IUPAC name of methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate (CID 103254067) is methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate is CCCCC(NC1CCC(CC)C1C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate?
The InChIKey is RHTPAEIQVDBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-8-14(15(17)18-4)16-13-10-9-12(6-2)11(13)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate?
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate is sourced from PubChem (CID 103254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).