1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine

C17H21N7 — CID 140813812

IUPAC1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine
SMILESNCC(=N/N=C(/N)NN=C(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N7/c18-11-15(13-7-3-1-4-8-13)21-23-17(20)24-22-16(12-19)14-9-5-2-6-10-14/h1-10H,11-12,18-19H2,(H3,20,23,24)
InChIKeyOHIVDCZHHGPLKK-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.62
Rot. Bonds6

About 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine

1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine (PubChem CID 140813812) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine.

Molecular Properties

Compound Name1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine
PubChem CID140813812
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine
SMILESNCC(=N/N=C(/N)NN=C(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N7/c18-11-15(13-7-3-1-4-8-13)21-23-17(20)24-22-16(12-19)14-9-5-2-6-10-14/h1-10H,11-12,18-19H2,(H3,20,23,24)
InChIKeyOHIVDCZHHGPLKK-UHFFFAOYSA-N
XLogP0.62
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine
CID 86279334
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine
CID 178024660
2-phenyl-2-phenyliminoethanamine
CID 118895747
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
2-(1,2-diphenylethylideneamino)guanidine
CID 77060183
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987
2-(1-phenylbutylideneamino)guanidine
CID 76872532

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine?
The IUPAC name of 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine (CID 140813812) is 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine.
What is the SMILES notation for 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine?
The canonical SMILES for 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine is NCC(=N/N=C(/N)NN=C(CN)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine?
The InChIKey is OHIVDCZHHGPLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c18-11-15(13-7-3-1-4-8-13)21-23-17(20)24-22-16(12-19)14-9-5-2-6-10-14/h1-10H,11-12,18-19H2,(H3,20,23,24).
What are the key properties of 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine?
1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine has a molecular weight of 323.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine is sourced from PubChem (CID 140813812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).