cyclopentylmethyl 4-(2-aminoethyl)heptanoate

C15H29NO2 — CID 66323726

IUPACcyclopentylmethyl 4-(2-aminoethyl)heptanoate
SMILESCCCC(CCN)CCC(=O)OCC1CCCC1
InChIInChI=1S/C15H29NO2/c1-2-5-13(10-11-16)8-9-15(17)18-12-14-6-3-4-7-14/h13-14H,2-12,16H2,1H3
InChIKeyLXBRGQIKBORQIF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.27
Rot. Bonds9

About cyclopentylmethyl 4-(2-aminoethyl)heptanoate

cyclopentylmethyl 4-(2-aminoethyl)heptanoate (PubChem CID 66323726) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is cyclopentylmethyl 4-(2-aminoethyl)heptanoate.

Molecular Properties

Compound Namecyclopentylmethyl 4-(2-aminoethyl)heptanoate
PubChem CID66323726
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namecyclopentylmethyl 4-(2-aminoethyl)heptanoate
SMILESCCCC(CCN)CCC(=O)OCC1CCCC1
InChIInChI=1S/C15H29NO2/c1-2-5-13(10-11-16)8-9-15(17)18-12-14-6-3-4-7-14/h13-14H,2-12,16H2,1H3
InChIKeyLXBRGQIKBORQIF-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopentylmethyl 4-(2-aminoethyl)heptanoate 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

2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
CID 114157607
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
1-O-(cyclohexylmethyl) 3-O-(2-ethylpentyl) propanedioate
CID 142364260
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
cycloheptylmethyl hexanoate
CID 54549126
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
1-O-(cyclohexylmethyl) 5-O-hexan-3-yl pentanedioate
CID 91707052
cycloheptylmethyl tridecanoate
CID 54548120
1-O-(cyclohexylmethyl) 5-O-(2-ethylhexyl) pentanedioate
CID 91707008
1-O-(cyclohexylmethyl) 5-O-(2-methylhexan-3-yl) pentanedioate
CID 91707057
1-O-(cyclohexylmethyl) 5-O-(2-ethylbutyl) pentanedioate
CID 91707019

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-(2-aminoethyl)heptanoate?
The IUPAC name of cyclopentylmethyl 4-(2-aminoethyl)heptanoate (CID 66323726) is cyclopentylmethyl 4-(2-aminoethyl)heptanoate.
What is the SMILES notation for cyclopentylmethyl 4-(2-aminoethyl)heptanoate?
The canonical SMILES for cyclopentylmethyl 4-(2-aminoethyl)heptanoate is CCCC(CCN)CCC(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 4-(2-aminoethyl)heptanoate?
The InChIKey is LXBRGQIKBORQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-5-13(10-11-16)8-9-15(17)18-12-14-6-3-4-7-14/h13-14H,2-12,16H2,1H3.
What are the key properties of cyclopentylmethyl 4-(2-aminoethyl)heptanoate?
cyclopentylmethyl 4-(2-aminoethyl)heptanoate has a molecular weight of 255.40 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-(2-aminoethyl)heptanoate is sourced from PubChem (CID 66323726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).