methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate

C15H31N3O2 — CID 79563943

IUPACmethyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN(C)CCN(C)C
InChIInChI=1S/C15H31N3O2/c1-16-15(14(19)20-5)9-6-7-13(15)8-10-18(4)12-11-17(2)3/h13,16H,6-12H2,1-5H3
InChIKeyCHBMCEOSKNWHCP-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.80
Rot. Bonds8

About methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate

methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79563943) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79563943
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Namemethyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN(C)CCN(C)C
InChIInChI=1S/C15H31N3O2/c1-16-15(14(19)20-5)9-6-7-13(15)8-10-18(4)12-11-17(2)3/h13,16H,6-12H2,1-5H3
InChIKeyCHBMCEOSKNWHCP-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79563584
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564852
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
methyl 2-[2-(3-methoxy-3-methylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 106666862

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79563943) is methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCN(C)CCN(C)C.
What is the InChIKey of methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is CHBMCEOSKNWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-16-15(14(19)20-5)9-6-7-13(15)8-10-18(4)12-11-17(2)3/h13,16H,6-12H2,1-5H3.
What are the key properties of methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79563943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).