methyl 2-[(cyclopentylamino)methyl]hexanoate

C13H25NO2 — CID 174575795

IUPACmethyl 2-[(cyclopentylamino)methyl]hexanoate
SMILESCCCCC(CNC1CCCC1)C(=O)OC
InChIInChI=1S/C13H25NO2/c1-3-4-7-11(13(15)16-2)10-14-12-8-5-6-9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyRTGMDONFLOJCKQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About methyl 2-[(cyclopentylamino)methyl]hexanoate

methyl 2-[(cyclopentylamino)methyl]hexanoate (PubChem CID 174575795) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-[(cyclopentylamino)methyl]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(cyclopentylamino)methyl]hexanoate
PubChem CID174575795
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-[(cyclopentylamino)methyl]hexanoate
SMILESCCCCC(CNC1CCCC1)C(=O)OC
InChIInChI=1S/C13H25NO2/c1-3-4-7-11(13(15)16-2)10-14-12-8-5-6-9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyRTGMDONFLOJCKQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
N-cyclopentyl-2-ethylhexanamide
CID 4146053
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
N-cyclooctyl-2-ethylhexanamide
CID 3989939
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 2-undecyltridecanoate
CID 176610383
1-(cyclopentylamino)nonan-2-ol
CID 115002403
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(cyclopentylamino)methyl]hexanoate?
The IUPAC name of methyl 2-[(cyclopentylamino)methyl]hexanoate (CID 174575795) is methyl 2-[(cyclopentylamino)methyl]hexanoate.
What is the SMILES notation for methyl 2-[(cyclopentylamino)methyl]hexanoate?
The canonical SMILES for methyl 2-[(cyclopentylamino)methyl]hexanoate is CCCCC(CNC1CCCC1)C(=O)OC.
What is the InChIKey of methyl 2-[(cyclopentylamino)methyl]hexanoate?
The InChIKey is RTGMDONFLOJCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-7-11(13(15)16-2)10-14-12-8-5-6-9-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of methyl 2-[(cyclopentylamino)methyl]hexanoate?
methyl 2-[(cyclopentylamino)methyl]hexanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(cyclopentylamino)methyl]hexanoate is sourced from PubChem (CID 174575795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).