9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

C14H19N5 — CID 1368625

IUPAC9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCc1ccccc1NC1=NC2(CCCC2)N=C(N)N1
InChIInChI=1S/C14H19N5/c1-10-6-2-3-7-11(10)16-13-17-12(15)18-14(19-13)8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyHETKMRDEEDZTLL-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds1

About 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (PubChem CID 1368625) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.

Molecular Properties

Compound Name9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
PubChem CID1368625
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCc1ccccc1NC1=NC2(CCCC2)N=C(N)N1
InChIInChI=1S/C14H19N5/c1-10-6-2-3-7-11(10)16-13-17-12(15)18-14(19-13)8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3,(H4,15,16,17,18,19)
InChIKeyHETKMRDEEDZTLL-UHFFFAOYSA-N
XLogP1.95
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-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 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The IUPAC name of 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (CID 1368625) is 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.
What is the SMILES notation for 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The canonical SMILES for 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is Cc1ccccc1NC1=NC2(CCCC2)N=C(N)N1.
What is the InChIKey of 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The InChIKey is HETKMRDEEDZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-6-2-3-7-11(10)16-13-17-12(15)18-14(19-13)8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2-methylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is sourced from PubChem (CID 1368625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).