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

C15H18N6 — CID 24484

IUPAC2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyVPFQDYYIEBRWAW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.09
Rot. Bonds4

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

2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine (PubChem CID 24484) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine
PubChem CID24484
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyVPFQDYYIEBRWAW-UHFFFAOYSA-N
XLogP1.09
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.09
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
o-Tolidine
CID 8413
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
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-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine?
The IUPAC name of 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine (CID 24484) is 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine is NC(N)=Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine?
The InChIKey is VPFQDYYIEBRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21).
What are the key properties of 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine?
2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine has a molecular weight of 282.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine is sourced from PubChem (CID 24484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).