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

C16H30N2O3 — CID 79564852

IUPACmethyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN(CCOC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-17-16(15(19)21-3)9-4-5-13(16)8-10-18(11-12-20-2)14-6-7-14/h13-14,17H,4-12H2,1-3H3
InChIKeyMHYKBUKZPGJMFB-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds9

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

methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79564852) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79564852
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN(CCOC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-17-16(15(19)21-3)9-4-5-13(16)8-10-18(11-12-20-2)14-6-7-14/h13-14,17H,4-12H2,1-3H3
InChIKeyMHYKBUKZPGJMFB-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564755
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 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
methyl 2-[2-(3-methoxy-3-methylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 106666862
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79564852) is methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCN(CCOC)C1CC1.
What is the InChIKey of methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is MHYKBUKZPGJMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-17-16(15(19)21-3)9-4-5-13(16)8-10-18(11-12-20-2)14-6-7-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79564852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).