15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride

C20H25ClN2 — CID 53323557

IUPAC15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride
SMILESCC(C)(C)C1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2.Cl
InChIInChI=1S/C20H24N2.ClH/c1-20(2,3)14-9-12-8-13(11-14)18-17(10-12)22-16-7-5-4-6-15(16)19(18)21;/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,22);1H
InChIKeyPUXGOUHZFGKIDE-UHFFFAOYSA-N
MW328.89 g/mol
LogP5.26
Rot. Bonds

About 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride

15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride (PubChem CID 53323557) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride.

Molecular Properties

Compound Name15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride
PubChem CID53323557
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride
SMILESCC(C)(C)C1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2.Cl
InChIInChI=1S/C20H24N2.ClH/c1-20(2,3)14-9-12-8-13(11-14)18-17(10-12)22-16-7-5-4-6-15(16)19(18)21;/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,22);1H
InChIKeyPUXGOUHZFGKIDE-UHFFFAOYSA-N
XLogP5.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride 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 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride?
The IUPAC name of 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride (CID 53323557) is 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride.
What is the SMILES notation for 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride?
The canonical SMILES for 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride is CC(C)(C)C1=CC2Cc3nc4ccccc4c(N)c3C(C1)C2.Cl.
What is the InChIKey of 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride?
The InChIKey is PUXGOUHZFGKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.ClH/c1-20(2,3)14-9-12-8-13(11-14)18-17(10-12)22-16-7-5-4-6-15(16)19(18)21;/h4-7,9,12-13H,8,10-11H2,1-3H3,(H2,21,22);1H.
What are the key properties of 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride?
15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 5.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine;hydrochloride is sourced from PubChem (CID 53323557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).