4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide

C14H20N4O3 — CID 76934936

IUPAC4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESCCCCN(c1ccc(C(N)=NO)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-8-17(11-5-6-11)12-7-4-10(14(15)16-19)9-13(12)18(20)21/h4,7,9,11,19H,2-3,5-6,8H2,1H3,(H2,15,16)
InChIKeyVQUKIQZYLZUAJQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.46
Rot. Bonds7

About 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide

4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 76934936) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID76934936
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESCCCCN(c1ccc(C(N)=NO)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-8-17(11-5-6-11)12-7-4-10(14(15)16-19)9-13(12)18(20)21/h4,7,9,11,19H,2-3,5-6,8H2,1H3,(H2,15,16)
InChIKeyVQUKIQZYLZUAJQ-UHFFFAOYSA-N
XLogP2.46
TPSA104.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
1-[4-[cyclobutyl(3-hydroxypropyl)amino]-3-nitrophenyl]ethanone
CID 102846752
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935425
1-[2-[butyl(cyclopropyl)amino]-5-nitrophenyl]ethanone
CID 62872294
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934984
N'-hydroxy-4-[methyl(2-methylbutyl)amino]-3-nitrobenzenecarboximidamide
CID 76935374
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79377667
1-[4-[cyclopentyl(ethyl)amino]-3-nitrophenyl]ethanone
CID 43541256
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76935010
3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984188
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 76934936) is 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide is CCCCN(c1ccc(C(N)=NO)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is VQUKIQZYLZUAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-3-8-17(11-5-6-11)12-7-4-10(14(15)16-19)9-13(12)18(20)21/h4,7,9,11,19H,2-3,5-6,8H2,1H3,(H2,15,16).
What are the key properties of 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide?
4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 292.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 76934936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).