N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline

C13H20N4O2 — CID 80910026

IUPACN-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
SMILESCN(CC1CCCC1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O2/c1-16(9-10-4-2-3-5-10)12-6-11(15-14)7-13(8-12)17(18)19/h6-8,10,15H,2-5,9,14H2,1H3
InChIKeyDBEHOVWLXXHPLZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.51
Rot. Bonds5

About N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline

N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline (PubChem CID 80910026) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
PubChem CID80910026
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
SMILESCN(CC1CCCC1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O2/c1-16(9-10-4-2-3-5-10)12-6-11(15-14)7-13(8-12)17(18)19/h6-8,10,15H,2-5,9,14H2,1H3
InChIKeyDBEHOVWLXXHPLZ-UHFFFAOYSA-N
XLogP2.51
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline?
The IUPAC name of N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline (CID 80910026) is N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline?
The canonical SMILES for N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline is CN(CC1CCCC1)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline?
The InChIKey is DBEHOVWLXXHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(9-10-4-2-3-5-10)12-6-11(15-14)7-13(8-12)17(18)19/h6-8,10,15H,2-5,9,14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline?
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline has a molecular weight of 264.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline is sourced from PubChem (CID 80910026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).