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

C15H30N2O2 — CID 79564361

IUPACmethyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCCN(CC)CCC1CCCC1(NC)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-11-17(6-2)12-9-13-8-7-10-15(13,16-3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyDRZRUTQKWDAOMX-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

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

methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79564361) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79564361
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCCN(CC)CCC1CCCC1(NC)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-11-17(6-2)12-9-13-8-7-10-15(13,16-3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyDRZRUTQKWDAOMX-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79563943
methyl 1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79563584
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564852
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
CID 102984407
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
ethyl 1-(cyclopropylamino)-2-[2-(diethylamino)ethyl]cyclopentane-1-carboxylate
CID 79576054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79564361) is methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CCCN(CC)CCC1CCCC1(NC)C(=O)OC.
What is the InChIKey of methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is DRZRUTQKWDAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-11-17(6-2)12-9-13-8-7-10-15(13,16-3)14(18)19-4/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).