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

C17H30N2O2 — CID 82844697

IUPACethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCCCC2)CCN2CCCC21
InChIInChI=1S/C17H30N2O2/c1-2-21-16(20)17(11-13-19-12-7-10-15(17)19)18-14-8-5-3-4-6-9-14/h14-15,18H,2-13H2,1H3
InChIKeyOLJNIIUUXFTTAH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds4

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

ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (PubChem CID 82844697) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
PubChem CID82844697
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCCCC2)CCN2CCCC21
InChIInChI=1S/C17H30N2O2/c1-2-21-16(20)17(11-13-19-12-7-10-15(17)19)18-14-8-5-3-4-6-9-14/h14-15,18H,2-13H2,1H3
InChIKeyOLJNIIUUXFTTAH-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857077
1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853864
ethyl 1-(2-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844696
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
CID 65075658
1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853335
ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
CID 82856390
methyl 1-(2-azidoethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856860

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The IUPAC name of ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (CID 82844697) is ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is CCOC(=O)C1(NC2CCCCCC2)CCN2CCCC21.
What is the InChIKey of ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The InChIKey is OLJNIIUUXFTTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-16(20)17(11-13-19-12-7-10-15(17)19)18-14-8-5-3-4-6-9-14/h14-15,18H,2-13H2,1H3.
What are the key properties of ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 82844697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).