18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol

C24H30N4O — CID 143013758

IUPAC18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol
SMILESCc1cnc(NCCCN(C)C)c2c1CN(C)C1=CCC=c3cc(O)ccc3=C12
InChIInChI=1S/C24H30N4O/c1-16-14-26-24(25-11-6-12-27(2)3)23-20(16)15-28(4)21-8-5-7-17-13-18(29)9-10-19(17)22(21)23/h7-10,13-14,29H,5-6,11-12,15H2,1-4H3,(H,25,26)
InChIKeyVTFSYVKJSJEICO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.17
Rot. Bonds5

About 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol

18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol (PubChem CID 143013758) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol.

Molecular Properties

Compound Name18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol
PubChem CID143013758
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol
SMILESCc1cnc(NCCCN(C)C)c2c1CN(C)C1=CCC=c3cc(O)ccc3=C12
InChIInChI=1S/C24H30N4O/c1-16-14-26-24(25-11-6-12-27(2)3)23-20(16)15-28(4)21-8-5-7-17-13-18(29)9-10-19(17)22(21)23/h7-10,13-14,29H,5-6,11-12,15H2,1-4H3,(H,25,26)
InChIKeyVTFSYVKJSJEICO-UHFFFAOYSA-N
XLogP2.17
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol 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 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol?
The IUPAC name of 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol (CID 143013758) is 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol.
What is the SMILES notation for 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol?
The canonical SMILES for 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol is Cc1cnc(NCCCN(C)C)c2c1CN(C)C1=CCC=c3cc(O)ccc3=C12.
What is the InChIKey of 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol?
The InChIKey is VTFSYVKJSJEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16-14-26-24(25-11-6-12-27(2)3)23-20(16)15-28(4)21-8-5-7-17-13-18(29)9-10-19(17)22(21)23/h7-10,13-14,29H,5-6,11-12,15H2,1-4H3,(H,25,26).
What are the key properties of 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol?
18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol has a molecular weight of 390.53 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[3-(dimethylamino)propylamino]-12,15-dimethyl-12,17-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-1,3,5,7,10,14(19),15,17-octaen-5-ol is sourced from PubChem (CID 143013758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).