4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine

C14H19N5 — CID 732268

IUPAC4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N=C(Nc2ccccc2)N1
InChIInChI=1S/C14H19N5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18,19)
InChIKeySTHMLNPMOYGEJM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds1

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

4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (PubChem CID 732268) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
PubChem CID732268
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N=C(Nc2ccccc2)N1
InChIInChI=1S/C14H19N5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18,19)
InChIKeySTHMLNPMOYGEJM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Diphenylguanidine
CID 7594
Di-o-tolylguanidine
CID 7333
1,2,3-Triphenylguanidine
CID 7539
N,N'-Diphenylformamidine
CID 94888
Ethanimidamide, N,N'-diphenyl-
CID 12117
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Diphenylguanidine hydrochloride
CID 520104
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
1-Cyano-N,N'-diphenylformamidine
CID 22814
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (CID 732268) is 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is NC1=NC2(CCCCC2)N=C(Nc2ccccc2)N1.
What is the InChIKey of 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The InChIKey is STHMLNPMOYGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18,19).
What are the key properties of 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is sourced from PubChem (CID 732268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).