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

C14H24N4O3 — CID 62247011

IUPACN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-11(2)9-17(6-7-21-3)10-12-4-5-13(16-15)14(8-12)18(19)20/h4-5,8,11,16H,6-7,9-10,15H2,1-3H3
InChIKeyQALORHBWCOWBSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.98
Rot. Bonds9

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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 62247011) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID62247011
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-11(2)9-17(6-7-21-3)10-12-4-5-13(16-15)14(8-12)18(19)20/h4-5,8,11,16H,6-7,9-10,15H2,1-3H3
InChIKeyQALORHBWCOWBSL-UHFFFAOYSA-N
XLogP1.98
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.98
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-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
CID 62209632
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
4-[[2-methoxyethyl(methyl)amino]methyl]-2-nitroaniline
CID 55046715
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 62247011) is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC(C)C.
What is the InChIKey of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is QALORHBWCOWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-11(2)9-17(6-7-21-3)10-12-4-5-13(16-15)14(8-12)18(19)20/h4-5,8,11,16H,6-7,9-10,15H2,1-3H3.
What are the key properties of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 1.98, 9 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]-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).