2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine

C12H17F2N5 — CID 5487318

IUPAC2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
SMILESNCCC/N=C(\N)N/N=C(/c1ccccc1)C(F)F
InChIInChI=1S/C12H17F2N5/c13-11(14)10(9-5-2-1-3-6-9)18-19-12(16)17-8-4-7-15/h1-3,5-6,11H,4,7-8,15H2,(H3,16,17,19)/b18-10-
InChIKeyMPBKAOHKPAKJDA-ZDLGFXPLSA-N
MW269.30 g/mol
LogP0.91
Rot. Bonds6

About 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine

2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine (PubChem CID 5487318) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
PubChem CID5487318
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
SMILESNCCC/N=C(\N)N/N=C(/c1ccccc1)C(F)F
InChIInChI=1S/C12H17F2N5/c13-11(14)10(9-5-2-1-3-6-9)18-19-12(16)17-8-4-7-15/h1-3,5-6,11H,4,7-8,15H2,(H3,16,17,19)/b18-10-
InChIKeyMPBKAOHKPAKJDA-ZDLGFXPLSA-N
XLogP0.91
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-aminobutyl)benzenecarboximidamide
CID 172789846
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
benzyl N-[N'-(3-aminopropyl)carbamimidoyl]carbamate
CID 15308290
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine
CID 140813812
N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216346
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;1-phenoxyethanol
CID 174949127
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-phenylpropanoic acid;2,5-diaminopentanoic acid
CID 174368733

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine?
The IUPAC name of 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine (CID 5487318) is 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine.
What is the SMILES notation for 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine?
The canonical SMILES for 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine is NCCC/N=C(\N)N/N=C(/c1ccccc1)C(F)F.
What is the InChIKey of 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine?
The InChIKey is MPBKAOHKPAKJDA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C12H17F2N5/c13-11(14)10(9-5-2-1-3-6-9)18-19-12(16)17-8-4-7-15/h1-3,5-6,11H,4,7-8,15H2,(H3,16,17,19)/b18-10-.
What are the key properties of 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine?
2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine has a molecular weight of 269.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine is sourced from PubChem (CID 5487318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).