N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine

C18H19N5 — CID 20767725

IUPACN-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine
SMILESCNCCNc1nc2cc3ccccc3cc2c2c(C)cnn12
InChIInChI=1S/C18H19N5/c1-12-11-21-23-17(12)15-9-13-5-3-4-6-14(13)10-16(15)22-18(23)20-8-7-19-2/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyMZGNCCPVHUSMIB-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.98
Rot. Bonds4

About N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine

N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine (PubChem CID 20767725) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine
PubChem CID20767725
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine
SMILESCNCCNc1nc2cc3ccccc3cc2c2c(C)cnn12
InChIInChI=1S/C18H19N5/c1-12-11-21-23-17(12)15-9-13-5-3-4-6-14(13)10-16(15)22-18(23)20-8-7-19-2/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyMZGNCCPVHUSMIB-UHFFFAOYSA-N
XLogP2.98
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-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-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine (CID 20767725) is N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine is CNCCNc1nc2cc3ccccc3cc2c2c(C)cnn12.
What is the InChIKey of N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine?
The InChIKey is MZGNCCPVHUSMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-11-21-23-17(12)15-9-13-5-3-4-6-14(13)10-16(15)22-18(23)20-8-7-19-2/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine?
N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine has a molecular weight of 305.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(12-methyl-14,15,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11,13,16-octaen-16-yl)ethane-1,2-diamine is sourced from PubChem (CID 20767725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).