ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

C12H22N2O2 — CID 82857077

IUPACethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCN2CCCC21
InChIInChI=1S/C12H22N2O2/c1-3-13-12(11(15)16-4-2)7-9-14-8-5-6-10(12)14/h10,13H,3-9H2,1-2H3
InChIKeyYDTWBJCVWIVSFS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds4

About ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (PubChem CID 82857077) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
PubChem CID82857077
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCN2CCCC21
InChIInChI=1S/C12H22N2O2/c1-3-13-12(11(15)16-4-2)7-9-14-8-5-6-10(12)14/h10,13H,3-9H2,1-2H3
InChIKeyYDTWBJCVWIVSFS-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844697
ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
CID 82856390
ethyl 1-(2-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844696
2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
CID 82856391
1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853335
methyl 1-(2-azidoethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856860
ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)butanoate
CID 82855879
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856905
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (CID 82857077) is ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is CCNC1(C(=O)OCC)CCN2CCCC21.
What is the InChIKey of ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The InChIKey is YDTWBJCVWIVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-13-12(11(15)16-4-2)7-9-14-8-5-6-10(12)14/h10,13H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 82857077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).