methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate

C14H28N2O2 — CID 79397246

IUPACmethyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCN(C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(14(17)18-4)12(2)15-9-10-16(3)13-7-5-6-8-13/h11-13,15H,5-10H2,1-4H3
InChIKeyHHRINHNGTKKFNF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate

methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate (PubChem CID 79397246) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
PubChem CID79397246
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCN(C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(14(17)18-4)12(2)15-9-10-16(3)13-7-5-6-8-13/h11-13,15H,5-10H2,1-4H3
InChIKeyHHRINHNGTKKFNF-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 2-[3-[cyclohexyl(methyl)amino]propylamino]but-3-enoate
CID 114242474
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate (CID 79397246) is methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCCN(C)C1CCCC1.
What is the InChIKey of methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate?
The InChIKey is HHRINHNGTKKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(14(17)18-4)12(2)15-9-10-16(3)13-7-5-6-8-13/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate?
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate is sourced from PubChem (CID 79397246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).