2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C18H28N2O — CID 81486334

IUPAC2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCC2CCC(C1)N2
InChIInChI=1S/C18H28N2O/c21-18(20-4-3-15-1-2-16(10-20)19-15)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-17,19H,1-10H2
InChIKeyTYTZKVIZZOGGPI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.41
Rot. Bonds1

About 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 81486334) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID81486334
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCC2CCC(C1)N2
InChIInChI=1S/C18H28N2O/c21-18(20-4-3-15-1-2-16(10-20)19-15)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-17,19H,1-10H2
InChIKeyTYTZKVIZZOGGPI-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 81486334) is 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCC2CCC(C1)N2.
What is the InChIKey of 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is TYTZKVIZZOGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18(20-4-3-15-1-2-16(10-20)19-15)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-17,19H,1-10H2.
What are the key properties of 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 288.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 81486334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).