3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

C19H26N6 — CID 70942501

IUPAC3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESCCN(CC)C1CCN(c2c(N)ncc3[nH]c4ncccc4c23)CC1
InChIInChI=1S/C19H26N6/c1-3-24(4-2)13-7-10-25(11-8-13)17-16-14-6-5-9-21-19(14)23-15(16)12-22-18(17)20/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyWLMWXJITSCSHEN-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.00
Rot. Bonds4

About 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine

3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (PubChem CID 70942501) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.

Molecular Properties

Compound Name3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
PubChem CID70942501
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
SMILESCCN(CC)C1CCN(c2c(N)ncc3[nH]c4ncccc4c23)CC1
InChIInChI=1S/C19H26N6/c1-3-24(4-2)13-7-10-25(11-8-13)17-16-14-6-5-9-21-19(14)23-15(16)12-22-18(17)20/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyWLMWXJITSCSHEN-UHFFFAOYSA-N
XLogP3.00
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine (CID 70942501) is 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine.
What is the SMILES notation for 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The canonical SMILES for 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is CCN(CC)C1CCN(c2c(N)ncc3[nH]c4ncccc4c23)CC1.
What is the InChIKey of 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
The InChIKey is WLMWXJITSCSHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-3-24(4-2)13-7-10-25(11-8-13)17-16-14-6-5-9-21-19(14)23-15(16)12-22-18(17)20/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine?
3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine is sourced from PubChem (CID 70942501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).