6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine

C21H29N5 — CID 59774336

IUPAC6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
SMILESCN(CCN1CCCCC1)c1nc(N)nc2c1CCCc1ccccc1-2
InChIInChI=1S/C21H29N5/c1-25(14-15-26-12-5-2-6-13-26)20-18-11-7-9-16-8-3-4-10-17(16)19(18)23-21(22)24-20/h3-4,8,10H,2,5-7,9,11-15H2,1H3,(H2,22,23,24)
InChIKeyIZEIKMUDWUOWEG-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.14
Rot. Bonds4

About 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine

6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine (PubChem CID 59774336) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-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-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
PubChem CID59774336
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
SMILESCN(CCN1CCCCC1)c1nc(N)nc2c1CCCc1ccccc1-2
InChIInChI=1S/C21H29N5/c1-25(14-15-26-12-5-2-6-13-26)20-18-11-7-9-16-8-3-4-10-17(16)19(18)23-21(22)24-20/h3-4,8,10H,2,5-7,9,11-15H2,1H3,(H2,22,23,24)
InChIKeyIZEIKMUDWUOWEG-UHFFFAOYSA-N
XLogP3.14
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-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-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine (CID 59774336) is 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-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-methyl-6-N-(2-piperidin-1-ylethyl)-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-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine is CN(CCN1CCCCC1)c1nc(N)nc2c1CCCc1ccccc1-2.
What is the InChIKey of 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
The InChIKey is IZEIKMUDWUOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-25(14-15-26-12-5-2-6-13-26)20-18-11-7-9-16-8-3-4-10-17(16)19(18)23-21(22)24-20/h3-4,8,10H,2,5-7,9,11-15H2,1H3,(H2,22,23,24).
What are the key properties of 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine?
6-N-methyl-6-N-(2-piperidin-1-ylethyl)-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 351.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-piperidin-1-ylethyl)-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 59774336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).