ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate

C17H32N2O2 — CID 79576464

IUPACethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCN(CC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-18-17(16(20)21-6-3)12-7-8-14(17)11-13-19(5-2)15-9-10-15/h14-15,18H,4-13H2,1-3H3
InChIKeyJWLMWYZJMNTONK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds9

About ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate

ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79576464) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79576464
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCN(CC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-18-17(16(20)21-6-3)12-7-8-14(17)11-13-19(5-2)15-9-10-15/h14-15,18H,4-13H2,1-3H3
InChIKeyJWLMWYZJMNTONK-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564755
methyl 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79577097
ethyl 1-(cyclopropylamino)-2-[2-(diethylamino)ethyl]cyclopentane-1-carboxylate
CID 79576054
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 81062489
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79576464) is ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCCC1CCN(CC)C1CC1.
What is the InChIKey of ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is JWLMWYZJMNTONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-18-17(16(20)21-6-3)12-7-8-14(17)11-13-19(5-2)15-9-10-15/h14-15,18H,4-13H2,1-3H3.
What are the key properties of ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79576464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).