ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

C17H32N2O2 — CID 79646666

IUPACethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-6-2)10-9-15(11-17)19(12-13(3)4)14-7-8-14/h13-15,18H,5-12H2,1-4H3
InChIKeyOJEUBRNBILOPHI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds8

About ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79646666) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79646666
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-6-2)10-9-15(11-17)19(12-13(3)4)14-7-8-14/h13-15,18H,5-12H2,1-4H3
InChIKeyOJEUBRNBILOPHI-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79649720
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
[3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79656461
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79646666) is ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(N(CC(C)C)C2CC2)C1.
What is the InChIKey of ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is OJEUBRNBILOPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-6-2)10-9-15(11-17)19(12-13(3)4)14-7-8-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).