2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol

C13H20N4O3 — CID 80915431

IUPAC2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
SMILESNNc1cccc(NCC2CCCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c14-16-11-6-3-5-10(13(11)17(19)20)15-8-9-4-1-2-7-12(9)18/h3,5-6,9,12,15-16,18H,1-2,4,7-8,14H2
InChIKeyTVHIDNZGVBAIMA-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.84
Rot. Bonds5

About 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol

2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol (PubChem CID 80915431) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
PubChem CID80915431
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
SMILESNNc1cccc(NCC2CCCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c14-16-11-6-3-5-10(13(11)17(19)20)15-8-9-4-1-2-7-12(9)18/h3,5-6,9,12,15-16,18H,1-2,4,7-8,14H2
InChIKeyTVHIDNZGVBAIMA-UHFFFAOYSA-N
XLogP1.84
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.84
H-Bond Donors ≤ 54
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

2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
2-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 104836005
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-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
2-[(2-amino-4-nitroanilino)methyl]cyclohexan-1-ol
CID 64927648
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
3-N-(cyclopentylmethyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80784463

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol (CID 80915431) is 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol is NNc1cccc(NCC2CCCCC2O)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol?
The InChIKey is TVHIDNZGVBAIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-16-11-6-3-5-10(13(11)17(19)20)15-8-9-4-1-2-7-12(9)18/h3,5-6,9,12,15-16,18H,1-2,4,7-8,14H2.
What are the key properties of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol?
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 80915431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).