N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine

C13H22N4O2 — CID 55051188

IUPACN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-3-7-16(8-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3
InChIKeyUBBCONLGSWCWRB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds8

About N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine (PubChem CID 55051188) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
PubChem CID55051188
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H22N4O2/c1-3-7-16(8-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3
InChIKeyUBBCONLGSWCWRB-UHFFFAOYSA-N
XLogP2.50
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62247043
3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol
CID 113469010
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
CID 62209632
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine (CID 55051188) is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is UBBCONLGSWCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-7-16(8-4-2)10-11-5-6-12(15-14)13(9-11)17(18)19/h5-6,9,15H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine?
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 55051188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).