N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine

C12H21N5O2 — CID 80909909

IUPACN'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H21N5O2/c1-15(2)5-4-6-16(3)11-7-10(14-13)8-12(9-11)17(18)19/h7-9,14H,4-6,13H2,1-3H3
InChIKeyAHLAEGONROKJFA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.27
Rot. Bonds7

About N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 80909909) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID80909909
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H21N5O2/c1-15(2)5-4-6-16(3)11-7-10(14-13)8-12(9-11)17(18)19/h7-9,14H,4-6,13H2,1-3H3
InChIKeyAHLAEGONROKJFA-UHFFFAOYSA-N
XLogP1.27
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.27
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

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CID 80924169
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CID 80784506
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3-N-[2-(dimethylamino)ethyl]-3-N-methyl-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80845787
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
CID 80899821
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80905726
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
3-(3-hydrazinyl-N-methyl-5-nitroanilino)butanenitrile
CID 80914174
N-butyl-3-chloro-N-methyl-5-nitroaniline
CID 146667663

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine (CID 80909909) is N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is AHLAEGONROKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-15(2)5-4-6-16(3)11-7-10(14-13)8-12(9-11)17(18)19/h7-9,14H,4-6,13H2,1-3H3.
What are the key properties of N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 267.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80909909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).