6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine

C21H27N5 — CID 25069405

IUPAC6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
SMILESCN1[C@@H]2CC[C@@H]1CC(Nc1nc(N)nc3c1CCCc1ccccc1-3)C2
InChIInChI=1S/C21H27N5/c1-26-15-9-10-16(26)12-14(11-15)23-20-18-8-4-6-13-5-2-3-7-17(13)19(18)24-21(22)25-20/h2-3,5,7,14-16H,4,6,8-12H2,1H3,(H3,22,23,24,25)/t15-,16-/m1/s1
InChIKeyNSRIZNCCNYMWLC-HZPDHXFCSA-N
MW349.48 g/mol
LogP3.25
Rot. Bonds2

About 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine

6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine (PubChem CID 25069405) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
PubChem CID25069405
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
SMILESCN1[C@@H]2CC[C@@H]1CC(Nc1nc(N)nc3c1CCCc1ccccc1-3)C2
InChIInChI=1S/C21H27N5/c1-26-15-9-10-16(26)12-14(11-15)23-20-18-8-4-6-13-5-2-3-7-17(13)19(18)24-21(22)25-20/h2-3,5,7,14-16H,4,6,8-12H2,1H3,(H3,22,23,24,25)/t15-,16-/m1/s1
InChIKeyNSRIZNCCNYMWLC-HZPDHXFCSA-N
XLogP3.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine 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 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
The IUPAC name of 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine (CID 25069405) is 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine.
What is the SMILES notation for 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
The canonical SMILES for 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine is CN1[C@@H]2CC[C@@H]1CC(Nc1nc(N)nc3c1CCCc1ccccc1-3)C2.
What is the InChIKey of 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
The InChIKey is NSRIZNCCNYMWLC-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H27N5/c1-26-15-9-10-16(26)12-14(11-15)23-20-18-8-4-6-13-5-2-3-7-17(13)19(18)24-21(22)25-20/h2-3,5,7,14-16H,4,6,8-12H2,1H3,(H3,22,23,24,25)/t15-,16-/m1/s1.
What are the key properties of 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine has a molecular weight of 349.48 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine is sourced from PubChem (CID 25069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).