methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate

C16H31N3O2 — CID 79645914

IUPACmethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCN1CCCC1CN(C)C1CCC(NC)(C(=O)OC)C1
InChIInChI=1S/C16H31N3O2/c1-5-19-10-6-7-14(19)12-18(3)13-8-9-16(11-13,17-2)15(20)21-4/h13-14,17H,5-12H2,1-4H3
InChIKeyWIBKIQTWIRNVLZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

About methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79645914) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79645914
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCN1CCCC1CN(C)C1CCC(NC)(C(=O)OC)C1
InChIInChI=1S/C16H31N3O2/c1-5-19-10-6-7-14(19)12-18(3)13-8-9-16(11-13,17-2)15(20)21-4/h13-14,17H,5-12H2,1-4H3
InChIKeyWIBKIQTWIRNVLZ-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79651384
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
CID 79651560
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743325
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate (CID 79645914) is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate is CCN1CCCC1CN(C)C1CCC(NC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is WIBKIQTWIRNVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-19-10-6-7-14(19)12-18(3)13-8-9-16(11-13,17-2)15(20)21-4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).