3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline

C14H22N4O2 — CID 80901526

IUPAC3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
SMILESCC1CCCCC1CNc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O2/c1-10-4-2-3-5-11(10)9-16-12-6-13(17-15)8-14(7-12)18(19)20/h6-8,10-11,16-17H,2-5,9,15H2,1H3
InChIKeyIZMIJWAAKFIURO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.12
Rot. Bonds5

About 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline

3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline (PubChem CID 80901526) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
PubChem CID80901526
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
SMILESCC1CCCCC1CNc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O2/c1-10-4-2-3-5-11(10)9-16-12-6-13(17-15)8-14(7-12)18(19)20/h6-8,10-11,16-17H,2-5,9,15H2,1H3
InChIKeyIZMIJWAAKFIURO-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

N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80902144
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
CID 80832379
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80898853
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455
5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine
CID 112647560
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-5-nitroaniline
CID 80929129
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline (CID 80901526) is 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline is CC1CCCCC1CNc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline?
The InChIKey is IZMIJWAAKFIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-4-2-3-5-11(10)9-16-12-6-13(17-15)8-14(7-12)18(19)20/h6-8,10-11,16-17H,2-5,9,15H2,1H3.
What are the key properties of 3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline?
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-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]-5-nitroaniline is sourced from PubChem (CID 80901526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).