15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

C20H28N2 — CID 57257918

IUPAC15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCC=C4
InChIInChI=1S/C20H28N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h3-4,12-13,16-17,19,21H,5-11H2,1-2H3
InChIKeyCGHYDLCFROGJFT-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.89
Rot. Bonds2

About 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (PubChem CID 57257918) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.

Molecular Properties

Compound Name15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
PubChem CID57257918
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCC=C4
InChIInChI=1S/C20H28N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h3-4,12-13,16-17,19,21H,5-11H2,1-2H3
InChIKeyCGHYDLCFROGJFT-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene 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-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The IUPAC name of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (CID 57257918) is 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.
What is the SMILES notation for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The canonical SMILES for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is CC1C2N=C3CC4=C(CC3C2CC2CC2)CC1(C)NCC=C4.
What is the InChIKey of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The InChIKey is CGHYDLCFROGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-12-19-17(8-13-5-6-13)16-9-15-11-20(12,2)21-7-3-4-14(15)10-18(16)22-19/h3-4,12-13,16-17,19,21H,5-11H2,1-2H3.
What are the key properties of 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene has a molecular weight of 296.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is sourced from PubChem (CID 57257918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).