3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile

C14H21N5O2 — CID 107352895

IUPAC3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H21N5O2/c1-11(2)9-18(8-4-7-15)10-12-5-3-6-13(19(20)21)14(12)17-16/h3,5-6,11,17H,4,8-10,16H2,1-2H3
InChIKeyAPWLMWDJTKSQNX-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.25
Rot. Bonds8

About 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile

3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 107352895) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile
PubChem CID107352895
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H21N5O2/c1-11(2)9-18(8-4-7-15)10-12-5-3-6-13(19(20)21)14(12)17-16/h3,5-6,11,17H,4,8-10,16H2,1-2H3
InChIKeyAPWLMWDJTKSQNX-UHFFFAOYSA-N
XLogP2.25
TPSA108.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.25
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

2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912
2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
CID 107486352
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
3-[ethyl-[(2-nitrophenyl)methyl]amino]propanenitrile
CID 54942473
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 112580647
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
2-[cyanomethyl-[[2-(ethylamino)-3-nitrophenyl]methyl]amino]acetonitrile
CID 107350737
3-[N-(2-methylpropyl)-2-nitroanilino]propanenitrile
CID 60661505
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile (CID 107352895) is 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)Cc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is APWLMWDJTKSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(2)9-18(8-4-7-15)10-12-5-3-6-13(19(20)21)14(12)17-16/h3,5-6,11,17H,4,8-10,16H2,1-2H3.
What are the key properties of 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile?
3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 291.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 107352895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).