1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone

C14H24N2O2 — CID 143121399

IUPAC1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CC3CCC(C2)N3CCO)CC1
InChIInChI=1S/C14H24N2O2/c1-14(4-5-14)8-13(18)15-9-11-2-3-12(10-15)16(11)6-7-17/h11-12,17H,2-10H2,1H3
InChIKeyVTPQAHZGEFZKJJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds4

About 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone

1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone (PubChem CID 143121399) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone
PubChem CID143121399
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CC3CCC(C2)N3CCO)CC1
InChIInChI=1S/C14H24N2O2/c1-14(4-5-14)8-13(18)15-9-11-2-3-12(10-15)16(11)6-7-17/h11-12,17H,2-10H2,1H3
InChIKeyVTPQAHZGEFZKJJ-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone?
The IUPAC name of 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone (CID 143121399) is 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone is CC1(CC(=O)N2CC3CCC(C2)N3CCO)CC1.
What is the InChIKey of 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone?
The InChIKey is VTPQAHZGEFZKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(4-5-14)8-13(18)15-9-11-2-3-12(10-15)16(11)6-7-17/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone?
1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 143121399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).