N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine

C22H26N4 — CID 11221722

IUPACN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cnc(NCCCN(C)C)c2c3c4ccccc4ccc3n(C)c12
InChIInChI=1S/C22H26N4/c1-15-14-24-22(23-12-7-13-25(2)3)20-19-17-9-6-5-8-16(17)10-11-18(19)26(4)21(15)20/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,23,24)
InChIKeySOKPEOGFYIVXNB-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.55
Rot. Bonds5

About N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine

N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 11221722) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID11221722
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cnc(NCCCN(C)C)c2c3c4ccccc4ccc3n(C)c12
InChIInChI=1S/C22H26N4/c1-15-14-24-22(23-12-7-13-25(2)3)20-19-17-9-6-5-8-16(17)10-11-18(19)26(4)21(15)20/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,23,24)
InChIKeySOKPEOGFYIVXNB-UHFFFAOYSA-N
XLogP4.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine 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 N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine (CID 11221722) is N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1cnc(NCCCN(C)C)c2c3c4ccccc4ccc3n(C)c12.
What is the InChIKey of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is SOKPEOGFYIVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-14-24-22(23-12-7-13-25(2)3)20-19-17-9-6-5-8-16(17)10-11-18(19)26(4)21(15)20/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,23,24).
What are the key properties of N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-16-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 11221722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).