ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate

C17H25NO2 — CID 64513801

IUPACethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCc2ccccc2)CCC(CC)C1
InChIInChI=1S/C17H25NO2/c1-3-14-10-11-17(12-14,16(19)20-4-2)18-13-15-8-6-5-7-9-15/h5-9,14,18H,3-4,10-13H2,1-2H3
InChIKeyLWGAJINWOXFIOC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.29
Rot. Bonds6

About ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate

ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate (PubChem CID 64513801) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
PubChem CID64513801
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCc2ccccc2)CCC(CC)C1
InChIInChI=1S/C17H25NO2/c1-3-14-10-11-17(12-14,16(19)20-4-2)18-13-15-8-6-5-7-9-15/h5-9,14,18H,3-4,10-13H2,1-2H3
InChIKeyLWGAJINWOXFIOC-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
ethyl 1-acetyl-3-(benzylamino)cyclopentane-1-carboxylate
CID 72761340
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
ethyl 1-(2-azidoethylamino)-3-ethylcyclopentane-1-carboxylate
CID 66190834
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 4-(benzylamino)-1-methylcyclohexane-1-carboxylate
CID 118993829
ethyl 4-(benzylamino)bicyclo[2.2.2]oct-2-ene-1-carboxylate
CID 46831041
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
CID 152760490

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate (CID 64513801) is ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate is CCOC(=O)C1(NCc2ccccc2)CCC(CC)C1.
What is the InChIKey of ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The InChIKey is LWGAJINWOXFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-14-10-11-17(12-14,16(19)20-4-2)18-13-15-8-6-5-7-9-15/h5-9,14,18H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 64513801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).