N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine

C12H20N4O3 — CID 112754591

IUPACN-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
SMILESCOC(C)CN(C)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O3/c1-9(19-3)7-15(2)8-10-4-5-11(14-13)12(6-10)16(17)18/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyAFRQGANHRBCOOD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.35
Rot. Bonds7

About N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine (PubChem CID 112754591) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
PubChem CID112754591
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
SMILESCOC(C)CN(C)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O3/c1-9(19-3)7-15(2)8-10-4-5-11(14-13)12(6-10)16(17)18/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyAFRQGANHRBCOOD-UHFFFAOYSA-N
XLogP1.35
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.35
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-[(3-fluoro-4-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754433
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
CID 62182211
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62247043
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 62244773
N-ethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2-nitroaniline
CID 81063031

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine (CID 112754591) is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine is COC(C)CN(C)Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine?
The InChIKey is AFRQGANHRBCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(19-3)7-15(2)8-10-4-5-11(14-13)12(6-10)16(17)18/h4-6,9,14H,7-8,13H2,1-3H3.
What are the key properties of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine?
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 112754591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).