14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride

C23H34Cl2N4 — CID 70357365

IUPAC14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride
SMILESCc1cc2c(cc1C)-c1nnc(NCCN3CCCCC3)cc1CCCC2.Cl.Cl
InChIInChI=1S/C23H32N4.2ClH/c1-17-14-19-8-4-5-9-20-16-22(24-10-13-27-11-6-3-7-12-27)25-26-23(20)21(19)15-18(17)2;;/h14-16H,3-13H2,1-2H3,(H,24,25);2*1H
InChIKeyXASSODXHOXVYKJ-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.38
Rot. Bonds4

About 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride

14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride (PubChem CID 70357365) has the molecular formula C23H34Cl2N4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride.

Molecular Properties

Compound Name14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride
PubChem CID70357365
Molecular FormulaC23H34Cl2N4
Molecular Weight437.46 g/mol
Exact Mass436.22
IUPAC Name14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride
SMILESCc1cc2c(cc1C)-c1nnc(NCCN3CCCCC3)cc1CCCC2.Cl.Cl
InChIInChI=1S/C23H32N4.2ClH/c1-17-14-19-8-4-5-9-20-16-22(24-10-13-27-11-6-3-7-12-27)25-26-23(20)21(19)15-18(17)2;;/h14-16H,3-13H2,1-2H3,(H,24,25);2*1H
InChIKeyXASSODXHOXVYKJ-UHFFFAOYSA-N
XLogP5.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride 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 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride?
The IUPAC name of 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride (CID 70357365) is 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride.
What is the SMILES notation for 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride?
The canonical SMILES for 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride is Cc1cc2c(cc1C)-c1nnc(NCCN3CCCCC3)cc1CCCC2.Cl.Cl.
What is the InChIKey of 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride?
The InChIKey is XASSODXHOXVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4.2ClH/c1-17-14-19-8-4-5-9-20-16-22(24-10-13-27-11-6-3-7-12-27)25-26-23(20)21(19)15-18(17)2;;/h14-16H,3-13H2,1-2H3,(H,24,25);2*1H.
What are the key properties of 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride?
14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride has a molecular weight of 437.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dimethyl-N-(2-piperidin-1-ylethyl)-3,4-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaen-5-amine;dihydrochloride is sourced from PubChem (CID 70357365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).