1,5-diazatricyclo[4.4.1.03,8]undecane

C9H16N2 — CID 91249004

IUPAC1,5-diazatricyclo[4.4.1.03,8]undecane
SMILESC1CN2CC3CC1C(CN3)C2
InChIInChI=1S/C9H16N2/c1-2-11-5-8-4-10-9(6-11)3-7(1)8/h7-10H,1-6H2
InChIKeyRZZYTLWWBYSMKY-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.30
Rot. Bonds

About 1,5-diazatricyclo[4.4.1.03,8]undecane

1,5-diazatricyclo[4.4.1.03,8]undecane (PubChem CID 91249004) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,5-diazatricyclo[4.4.1.03,8]undecane.

Molecular Properties

Compound Name1,5-diazatricyclo[4.4.1.03,8]undecane
PubChem CID91249004
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,5-diazatricyclo[4.4.1.03,8]undecane
SMILESC1CN2CC3CC1C(CN3)C2
InChIInChI=1S/C9H16N2/c1-2-11-5-8-4-10-9(6-11)3-7(1)8/h7-10H,1-6H2
InChIKeyRZZYTLWWBYSMKY-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-diazatricyclo[4.4.1.03,8]undecane with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-Fluoro-1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 68278043
6-[1-(1-Fluoropropan-2-yl)piperidin-4-yl]-3,6-diazabicyclo[3.2.2]nonane
CID 68278045
1-Butyl-3,6-diazatricyclo[4,3,1,1 3,8]undecan-9-amine
CID 138373781
9-Amino-1-methyl-3,6-diazahomoadamantane
CID 602208
3-Methyl-3,6-diazabicyclo[3.2.2]nonane
CID 13999275
3-Methyl-3,6-diazabicyclo[3.2.2]nonane;dihydrobromide
CID 13999276
6-Methyl-3,6-diazabicyclo[3.2.2]nonane
CID 13999277
6-Methyl-3,6-diazabicyclo[3.2.2]nonane;dihydrobromide
CID 13999278
1,4-Diazatricyclo[4.3.1.13,8]undecane
CID 18411796
1-Oxido-4-aza-1-azoniatricyclo[4.3.1.13,8]undecane
CID 18411877
1-Azabicyclo[3.2.2]nonan-4-amine
CID 21278097
4-Amino-1-azabicyclo[3.2.2]nonane hydrochloride
CID 21278098

Frequently Asked Questions

What is the IUPAC name of 1,5-diazatricyclo[4.4.1.03,8]undecane?
The IUPAC name of 1,5-diazatricyclo[4.4.1.03,8]undecane (CID 91249004) is 1,5-diazatricyclo[4.4.1.03,8]undecane.
What is the SMILES notation for 1,5-diazatricyclo[4.4.1.03,8]undecane?
The canonical SMILES for 1,5-diazatricyclo[4.4.1.03,8]undecane is C1CN2CC3CC1C(CN3)C2.
What is the InChIKey of 1,5-diazatricyclo[4.4.1.03,8]undecane?
The InChIKey is RZZYTLWWBYSMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-11-5-8-4-10-9(6-11)3-7(1)8/h7-10H,1-6H2.
What are the key properties of 1,5-diazatricyclo[4.4.1.03,8]undecane?
1,5-diazatricyclo[4.4.1.03,8]undecane has a molecular weight of 152.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazatricyclo[4.4.1.03,8]undecane is sourced from PubChem (CID 91249004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).