ethyl 2-[(2-methylcycloheptyl)amino]pentanoate

C15H29NO2 — CID 83040703

IUPACethyl 2-[(2-methylcycloheptyl)amino]pentanoate
SMILESCCCC(NC1CCCCCC1C)C(=O)OCC
InChIInChI=1S/C15H29NO2/c1-4-9-14(15(17)18-5-2)16-13-11-8-6-7-10-12(13)3/h12-14,16H,4-11H2,1-3H3
InChIKeyRMUPTXSCBNNOSF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-[(2-methylcycloheptyl)amino]pentanoate

ethyl 2-[(2-methylcycloheptyl)amino]pentanoate (PubChem CID 83040703) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[(2-methylcycloheptyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylcycloheptyl)amino]pentanoate
PubChem CID83040703
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[(2-methylcycloheptyl)amino]pentanoate
SMILESCCCC(NC1CCCCCC1C)C(=O)OCC
InChIInChI=1S/C15H29NO2/c1-4-9-14(15(17)18-5-2)16-13-11-8-6-7-10-12(13)3/h12-14,16H,4-11H2,1-3H3
InChIKeyRMUPTXSCBNNOSF-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2-methylcycloheptyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
2-[(2-methylcyclohexyl)amino]butanamide
CID 62901176
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate
CID 83042158
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
CID 28582368
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylcycloheptyl)amino]pentanoate?
The IUPAC name of ethyl 2-[(2-methylcycloheptyl)amino]pentanoate (CID 83040703) is ethyl 2-[(2-methylcycloheptyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[(2-methylcycloheptyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[(2-methylcycloheptyl)amino]pentanoate is CCCC(NC1CCCCCC1C)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-methylcycloheptyl)amino]pentanoate?
The InChIKey is RMUPTXSCBNNOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-9-14(15(17)18-5-2)16-13-11-8-6-7-10-12(13)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(2-methylcycloheptyl)amino]pentanoate?
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylcycloheptyl)amino]pentanoate is sourced from PubChem (CID 83040703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).