N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline

C14H22N4O2 — CID 80895882

IUPACN-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
SMILESCN(CC1CCCCC1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(16-15)14(13)18(19)20/h5,8-9,11,16H,2-4,6-7,10,15H2,1H3
InChIKeyPUMPQZWVMWUOEH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds5

About N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline

N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline (PubChem CID 80895882) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
PubChem CID80895882
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
SMILESCN(CC1CCCCC1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(16-15)14(13)18(19)20/h5,8-9,11,16H,2-4,6-7,10,15H2,1H3
InChIKeyPUMPQZWVMWUOEH-UHFFFAOYSA-N
XLogP2.90
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
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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Related Compounds

N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
3-N-(cyclobutylmethyl)-1-N-ethyl-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80825696
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine
CID 82747807
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The IUPAC name of N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline (CID 80895882) is N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline is CN(CC1CCCCC1)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The InChIKey is PUMPQZWVMWUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(16-15)14(13)18(19)20/h5,8-9,11,16H,2-4,6-7,10,15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline has a molecular weight of 278.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline is sourced from PubChem (CID 80895882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).