ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate

C16H32N2O2 — CID 79564538

IUPACethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN(C)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-14(19)16(17)10-7-8-13(16)9-11-18(5)12-15(2,3)4/h13H,6-12,17H2,1-5H3
InChIKeyQZKNIRAVWKFVGU-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.42
Rot. Bonds6

About ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate

ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 79564538) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID79564538
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN(C)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-14(19)16(17)10-7-8-13(16)9-11-18(5)12-15(2,3)4/h13H,6-12,17H2,1-5H3
InChIKeyQZKNIRAVWKFVGU-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564467
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795
ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561544
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79572326
ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 107755933
ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754
ethyl 1-amino-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571411
ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571488

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate (CID 79564538) is ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCN(C)CC(C)(C)C.
What is the InChIKey of ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is QZKNIRAVWKFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-20-14(19)16(17)10-7-8-13(16)9-11-18(5)12-15(2,3)4/h13H,6-12,17H2,1-5H3.
What are the key properties of ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79564538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).