2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

C17H29N3O — CID 61235935

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C2CCC1CC(N)C2)C1=CCCCC1
InChIInChI=1S/C17H29N3O/c1-2-19(14-6-4-3-5-7-14)17(21)12-20-15-8-9-16(20)11-13(18)10-15/h6,13,15-16H,2-5,7-12,18H2,1H3
InChIKeyJQJSCYIEPYIICE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 61235935) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID61235935
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C2CCC1CC(N)C2)C1=CCCCC1
InChIInChI=1S/C17H29N3O/c1-2-19(14-6-4-3-5-7-14)17(21)12-20-15-8-9-16(20)11-13(18)10-15/h6,13,15-16H,2-5,7-12,18H2,1H3
InChIKeyJQJSCYIEPYIICE-UHFFFAOYSA-N
XLogP2.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 61235935) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CN1C2CCC1CC(N)C2)C1=CCCCC1.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is JQJSCYIEPYIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-19(14-6-4-3-5-7-14)17(21)12-20-15-8-9-16(20)11-13(18)10-15/h6,13,15-16H,2-5,7-12,18H2,1H3.
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 61235935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).