8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C26H32N8 — CID 90654460

IUPAC8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1(C)CCCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1
InChIInChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32)
InChIKeyDUHXDQPGUINDGD-UHFFFAOYSA-N
MW456.60 g/mol
LogP4.67
Rot. Bonds4

About 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 90654460) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID90654460
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1(C)CCCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1
InChIInChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32)
InChIKeyDUHXDQPGUINDGD-UHFFFAOYSA-N
XLogP4.67
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine 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 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 90654460) is 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC1(C)CCCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1.
What is the InChIKey of 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is DUHXDQPGUINDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32).
What are the key properties of 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 456.60 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 90654460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).