N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine

C13H20N4O3 — CID 82743198

IUPACN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H20N4O3/c1-9-13(5-6-20-9)16(2)8-10-7-11(17(18)19)3-4-12(10)15-14/h3-4,7,9,13,15H,5-6,8,14H2,1-2H3
InChIKeyGSZUYYONAPCJSF-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.49
Rot. Bonds5

About N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine

N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82743198) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82743198
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C13H20N4O3/c1-9-13(5-6-20-9)16(2)8-10-7-11(17(18)19)3-4-12(10)15-14/h3-4,7,9,13,15H,5-6,8,14H2,1-2H3
InChIKeyGSZUYYONAPCJSF-UHFFFAOYSA-N
XLogP1.49
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-[2-(bromomethyl)-4-nitrophenyl]-N,2-dimethyloxolan-3-amine
CID 107084847
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
N-methyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-nitroaniline
CID 62208250
N,2-dimethyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]oxolan-3-amine
CID 107351494
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
CID 64520066
2-[[cyclopropyl(methyl)amino]methyl]-N-methyl-4-nitroaniline
CID 62183239
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)-5-nitrobenzamide
CID 82734656

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine (CID 82743198) is N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)Cc1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is GSZUYYONAPCJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-13(5-6-20-9)16(2)8-10-7-11(17(18)19)3-4-12(10)15-14/h3-4,7,9,13,15H,5-6,8,14H2,1-2H3.
What are the key properties of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine?
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 280.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82743198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).