4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane

C13H25N3 — CID 143036564

IUPAC4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC(C)C1C(C)NC2NC3NCCCC3C21
InChIInChI=1S/C13H25N3/c1-7(2)10-8(3)15-13-11(10)9-5-4-6-14-12(9)16-13/h7-16H,4-6H2,1-3H3
InChIKeyQIEFADMQROJVSC-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.12
Rot. Bonds1

About 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane

4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane (PubChem CID 143036564) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
PubChem CID143036564
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC(C)C1C(C)NC2NC3NCCCC3C21
InChIInChI=1S/C13H25N3/c1-7(2)10-8(3)15-13-11(10)9-5-4-6-14-12(9)16-13/h7-16H,4-6H2,1-3H3
InChIKeyQIEFADMQROJVSC-UHFFFAOYSA-N
XLogP1.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane 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

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[2,3-b]indole
CID 69300144
3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
CID 138554774
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
7-methyl-2-azabicyclo[4.1.0]heptane
CID 117045891
3-heptan-4-yl-4-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 143036470
5-iodo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane;zinc;trihydroiodide
CID 174980583
(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
CID 155110799
5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 5246615
5,6,7,8-tetra(propan-2-yloxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173295905
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
(3R)-2,3-dimethylpiperidine
CID 118133422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane (CID 143036564) is 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane is CC(C)C1C(C)NC2NC3NCCCC3C21.
What is the InChIKey of 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
The InChIKey is QIEFADMQROJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7(2)10-8(3)15-13-11(10)9-5-4-6-14-12(9)16-13/h7-16H,4-6H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane?
4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane has a molecular weight of 223.36 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 143036564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).