4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine

C15H21N5 — CID 879244

IUPAC4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1
InChIInChI=1S/C15H21N5/c1-11-6-5-7-12(10-11)17-14-18-13(16)19-15(20-14)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyXNYMRFXNQINRFX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.34
Rot. Bonds1

About 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine

4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (PubChem CID 879244) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
PubChem CID879244
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1
InChIInChI=1S/C15H21N5/c1-11-6-5-7-12(10-11)17-14-18-13(16)19-15(20-14)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyXNYMRFXNQINRFX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Di-o-tolylguanidine
CID 7333
Diphenylguanidine
CID 7594
1,2,3-Triphenylguanidine
CID 7539
2-Aminoperimidine
CID 112416
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
1-(3,5-Dimetilfenil)3-(2-(trifluorometil)phenil)guanidina
CID 71543346
Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (CID 879244) is 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is Cc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The InChIKey is XNYMRFXNQINRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-6-5-7-12(10-11)17-14-18-13(16)19-15(20-14)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is sourced from PubChem (CID 879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).