2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine

C16H20N6 — CID 24799808

IUPAC2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C16H20N6/c17-15(18)21-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-16(19)20/h3-10H,1-2H2,(H4,17,18,21)(H4,19,20,22)
InChIKeyGXZANURHEUSDFJ-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine

2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine (PubChem CID 24799808) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine
PubChem CID24799808
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C16H20N6/c17-15(18)21-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-16(19)20/h3-10H,1-2H2,(H4,17,18,21)(H4,19,20,22)
InChIKeyGXZANURHEUSDFJ-UHFFFAOYSA-N
XLogP1.28
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
Diphenylmethane diisocyanate
CID 7570
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
Magenta Base
CID 12448
Pararosaniline Hydrochloride
CID 11292
Amitraz
CID 36324
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
4,4'-Methylenedianiline dihydrochloride
CID 26108
o-Tolylbiguanide
CID 7155
Benzidine dihydrochloride
CID 10754
2,4'-Biphenyldiamine
CID 10292

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine?
The IUPAC name of 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine (CID 24799808) is 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine is NC(N)=Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine?
The InChIKey is GXZANURHEUSDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c17-15(18)21-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-16(19)20/h3-10H,1-2H2,(H4,17,18,21)(H4,19,20,22).
What are the key properties of 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine?
2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine has a molecular weight of 296.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine is sourced from PubChem (CID 24799808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).