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

C17H34N2O2 — CID 79565663

IUPACmethyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCC(CC)CN(CC)CCC1CCCC1(N)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-5-14(6-2)13-19(7-3)12-10-15-9-8-11-17(15,18)16(20)21-4/h14-15H,5-13,18H2,1-4H3
InChIKeyMFXZXNQEWXXVTF-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.81
Rot. Bonds9

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

methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 79565663) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID79565663
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCC(CC)CN(CC)CCC1CCCC1(N)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-5-14(6-2)13-19(7-3)12-10-15-9-8-11-17(15,18)16(20)21-4/h14-15H,5-13,18H2,1-4H3
InChIKeyMFXZXNQEWXXVTF-UHFFFAOYSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
1-amino-2-[2-[ethyl(2-methylbutyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79571261
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79572326
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79564018
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
CID 106448827
1-amino-2-[2-[2-methoxyethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79563769
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate (CID 79565663) is methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate is CCC(CC)CN(CC)CCC1CCCC1(N)C(=O)OC.
What is the InChIKey of methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is MFXZXNQEWXXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-14(6-2)13-19(7-3)12-10-15-9-8-11-17(15,18)16(20)21-4/h14-15H,5-13,18H2,1-4H3.
What are the key properties of methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79565663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).