ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

C15H30N2O4 — CID 79647195

IUPACethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(CCOC)CCOC)C1
InChIInChI=1S/C15H30N2O4/c1-5-21-14(18)15(16-2)7-6-13(12-15)17(8-10-19-3)9-11-20-4/h13,16H,5-12H2,1-4H3
InChIKeyVKMICWFSLHORQI-UHFFFAOYSA-N
MW302.41 g/mol
LogP0.65
Rot. Bonds10

About ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79647195) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79647195
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Nameethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(CCOC)CCOC)C1
InChIInChI=1S/C15H30N2O4/c1-5-21-14(18)15(16-2)7-6-13(12-15)17(8-10-19-3)9-11-20-4/h13,16H,5-12H2,1-4H3
InChIKeyVKMICWFSLHORQI-UHFFFAOYSA-N
XLogP0.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 81062759
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
CID 79858913
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
ethyl 3-[cyclopropylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641847
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (CID 79647195) is ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(N(CCOC)CCOC)C1.
What is the InChIKey of ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is VKMICWFSLHORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-5-21-14(18)15(16-2)7-6-13(12-15)17(8-10-19-3)9-11-20-4/h13,16H,5-12H2,1-4H3.
What are the key properties of ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 302.41 g/mol, XLogP of 0.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79647195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).