N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine

C12H19N5O2 — CID 80919667

IUPACN'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H19N5O2/c1-16(9-5-6-9)8-7-14-10-3-2-4-11(15-13)12(10)17(18)19/h2-4,9,14-15H,5-8,13H2,1H3
InChIKeyRBBRZJOVLOBBIV-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.39
Rot. Bonds7

About N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine (PubChem CID 80919667) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
PubChem CID80919667
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H19N5O2/c1-16(9-5-6-9)8-7-14-10-3-2-4-11(15-13)12(10)17(18)19/h2-4,9,14-15H,5-8,13H2,1H3
InChIKeyRBBRZJOVLOBBIV-UHFFFAOYSA-N
XLogP1.39
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
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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1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine (CID 80919667) is N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1cccc(NN)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is RBBRZJOVLOBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(9-5-6-9)8-7-14-10-3-2-4-11(15-13)12(10)17(18)19/h2-4,9,14-15H,5-8,13H2,1H3.
What are the key properties of N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 265.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80919667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).