3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline

C14H22N4O2 — CID 80900155

IUPAC3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
SMILESCC1CCCCC1CNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-5-2-3-6-11(10)9-16-12-7-4-8-13(17-15)14(12)18(19)20/h4,7-8,10-11,16-17H,2-3,5-6,9,15H2,1H3
InChIKeyXLSRNNYTPPUACJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.12
Rot. Bonds5

About 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline

3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline (PubChem CID 80900155) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
PubChem CID80900155
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
SMILESCC1CCCCC1CNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-5-2-3-6-11(10)9-16-12-7-4-8-13(17-15)14(12)18(19)20/h4,7-8,10-11,16-17H,2-3,5-6,9,15H2,1H3
InChIKeyXLSRNNYTPPUACJ-UHFFFAOYSA-N
XLogP3.12
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
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

2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
N-[(2-methylcyclopentyl)methyl]-3-methylsulfonyl-2-nitroaniline
CID 107419341
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
3-N-(cyclopentylmethyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80784463
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80899247
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline (CID 80900155) is 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline is CC1CCCCC1CNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline?
The InChIKey is XLSRNNYTPPUACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-5-2-3-6-11(10)9-16-12-7-4-8-13(17-15)14(12)18(19)20/h4,7-8,10-11,16-17H,2-3,5-6,9,15H2,1H3.
What are the key properties of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline?
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline has a molecular weight of 278.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline is sourced from PubChem (CID 80900155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).