ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate

C15H29NO2 — CID 83042158

IUPACethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate
SMILESCCCC(NC1CC(C)CC(C)C1)C(=O)OCC
InChIInChI=1S/C15H29NO2/c1-5-7-14(15(17)18-6-2)16-13-9-11(3)8-12(4)10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyDLDVRFNKWNLCIQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate

ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate (PubChem CID 83042158) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate
PubChem CID83042158
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate
SMILESCCCC(NC1CC(C)CC(C)C1)C(=O)OCC
InChIInChI=1S/C15H29NO2/c1-5-7-14(15(17)18-6-2)16-13-9-11(3)8-12(4)10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyDLDVRFNKWNLCIQ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate
CID 83040703
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 3-(3,5-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanoate
CID 64729857
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-(propylamino)pentanoate
CID 21021838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate?
The IUPAC name of ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate (CID 83042158) is ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate is CCCC(NC1CC(C)CC(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate?
The InChIKey is DLDVRFNKWNLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-14(15(17)18-6-2)16-13-9-11(3)8-12(4)10-13/h11-14,16H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate?
ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate is sourced from PubChem (CID 83042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).