N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide

C17H29N3O — CID 115314324

IUPACN-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC2CCC(C1)N2)C1=CCCCC1
InChIInChI=1S/C17H29N3O/c1-2-20(16-6-4-3-5-7-16)17(21)13-19-11-10-14-8-9-15(12-19)18-14/h6,14-15,18H,2-5,7-13H2,1H3
InChIKeyPUEWDMHNQJPAER-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.12
Rot. Bonds4

About N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide

N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide (PubChem CID 115314324) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
PubChem CID115314324
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC2CCC(C1)N2)C1=CCCCC1
InChIInChI=1S/C17H29N3O/c1-2-20(16-6-4-3-5-7-16)17(21)13-19-11-10-14-8-9-15(12-19)18-14/h6,14-15,18H,2-5,7-13H2,1H3
InChIKeyPUEWDMHNQJPAER-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide (CID 115314324) is N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide is CCN(C(=O)CN1CCC2CCC(C1)N2)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide?
The InChIKey is PUEWDMHNQJPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-20(16-6-4-3-5-7-16)17(21)13-19-11-10-14-8-9-15(12-19)18-14/h6,14-15,18H,2-5,7-13H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide?
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 115314324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).