2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine

C11H15N7O4 — CID 71322336

IUPAC2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine
SMILESNC(N)=NCCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N7O4/c12-11(13)14-5-1-2-6-15-16-9-4-3-8(17(19)20)7-10(9)18(21)22/h3-4,6-7,16H,1-2,5H2,(H4,12,13,14)
InChIKeyCGBRELDBCPLCRK-UHFFFAOYSA-N
MW309.29 g/mol
LogP0.95
Rot. Bonds8

About 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine

2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine (PubChem CID 71322336) has the molecular formula C11H15N7O4 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine.

Molecular Properties

Compound Name2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine
PubChem CID71322336
Molecular FormulaC11H15N7O4
Molecular Weight309.29 g/mol
Exact Mass309.12
IUPAC Name2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine
SMILESNC(N)=NCCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N7O4/c12-11(13)14-5-1-2-6-15-16-9-4-3-8(17(19)20)7-10(9)18(21)22/h3-4,6-7,16H,1-2,5H2,(H4,12,13,14)
InChIKeyCGBRELDBCPLCRK-UHFFFAOYSA-N
XLogP0.95
TPSA175.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
CID 15107201
N-[(E)-[(E)-24-chlorotetracos-12-enylidene]amino]-2,4-dinitroaniline
CID 10769296
2,4-dinitro-N-(penta-3,4-dienylideneamino)aniline
CID 131855224
N-[(E)-[(Z)-3-methylpent-2-enylidene]amino]-2,4-dinitroaniline
CID 21233701
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104
2,4-dinitro-N-[[(E)-pent-2-enylidene]amino]aniline
CID 131874424
2,4-dinitro-N-[[(3S)-3-phenylpent-4-enylidene]amino]aniline
CID 129440215
2,4-dinitro-N-[(Z)-[(3R)-3-phenylpent-4-enylidene]amino]aniline
CID 7114878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine?
The IUPAC name of 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine (CID 71322336) is 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine.
What is the SMILES notation for 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine?
The canonical SMILES for 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine is NC(N)=NCCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine?
The InChIKey is CGBRELDBCPLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O4/c12-11(13)14-5-1-2-6-15-16-9-4-3-8(17(19)20)7-10(9)18(21)22/h3-4,6-7,16H,1-2,5H2,(H4,12,13,14).
What are the key properties of 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine?
2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine has a molecular weight of 309.29 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine is sourced from PubChem (CID 71322336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).