ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate

C14H26N2O2 — CID 80547894

IUPACethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate
SMILESCCOC(=O)/C=C/CNCCN(C)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)9-6-10-15-11-12-16(2)13-7-4-5-8-13/h6,9,13,15H,3-5,7-8,10-12H2,1-2H3/b9-6+
InChIKeyKFYYKETZSZDTIZ-RMKNXTFCSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds8

About ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate

ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate (PubChem CID 80547894) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate
PubChem CID80547894
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate
SMILESCCOC(=O)/C=C/CNCCN(C)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)9-6-10-15-11-12-16(2)13-7-4-5-8-13/h6,9,13,15H,3-5,7-8,10-12H2,1-2H3/b9-6+
InChIKeyKFYYKETZSZDTIZ-RMKNXTFCSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-[3-[cyclohexyl(methyl)amino]propylamino]but-2-enoate
CID 80547560
ethyl (E)-4-[3-[methyl(propan-2-yl)amino]propylamino]but-2-enoate
CID 106036662
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
ethyl (E)-4-(2-pyrrolidin-1-ylethylamino)but-2-enoate
CID 80547527
N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 106547137
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
ethyl (E)-4-[cyclopropyl(propyl)amino]but-2-enoate
CID 80549163
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639
ethyl (E)-4-[2-(4-chlorophenyl)ethylamino]but-2-enoate
CID 80547563

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate?
The IUPAC name of ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate (CID 80547894) is ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate?
The canonical SMILES for ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate is CCOC(=O)/C=C/CNCCN(C)C1CCCC1.
What is the InChIKey of ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate?
The InChIKey is KFYYKETZSZDTIZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-14(17)9-6-10-15-11-12-16(2)13-7-4-5-8-13/h6,9,13,15H,3-5,7-8,10-12H2,1-2H3/b9-6+.
What are the key properties of ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate?
ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate has a molecular weight of 254.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[2-[cyclopentyl(methyl)amino]ethylamino]but-2-enoate is sourced from PubChem (CID 80547894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).