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

C15H21N5 — CID 752564

IUPAC9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCc1cccc(C)c1NC1=NC2(CCCC2)N=C(N)N1
InChIInChI=1S/C15H21N5/c1-10-6-5-7-11(2)12(10)17-14-18-13(16)19-15(20-14)8-3-4-9-15/h5-7H,3-4,8-9H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFSNAAVZDIKUEFL-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.26
Rot. Bonds1

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

9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (PubChem CID 752564) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.

Molecular Properties

Compound Name9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
PubChem CID752564
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCc1cccc(C)c1NC1=NC2(CCCC2)N=C(N)N1
InChIInChI=1S/C15H21N5/c1-10-6-5-7-11(2)12(10)17-14-18-13(16)19-15(20-14)8-3-4-9-15/h5-7H,3-4,8-9H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFSNAAVZDIKUEFL-UHFFFAOYSA-N
XLogP2.26
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The IUPAC name of 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (CID 752564) is 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.
What is the SMILES notation for 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The canonical SMILES for 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is Cc1cccc(C)c1NC1=NC2(CCCC2)N=C(N)N1.
What is the InChIKey of 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The InChIKey is FSNAAVZDIKUEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-6-5-7-11(2)12(10)17-14-18-13(16)19-15(20-14)8-3-4-9-15/h5-7H,3-4,8-9H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2,6-dimethylphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is sourced from PubChem (CID 752564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).