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

C14H22N4O3 — CID 107353144

IUPAC2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)C1CCCCC1O
InChIInChI=1S/C14H22N4O3/c1-17(11-6-2-3-8-13(11)19)9-10-5-4-7-12(18(20)21)14(10)16-15/h4-5,7,11,13,16,19H,2-3,6,8-9,15H2,1H3
InChIKeyZCZKFBJDFFMRNY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.62
Rot. Bonds5

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

2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 107353144) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID107353144
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)C1CCCCC1O
InChIInChI=1S/C14H22N4O3/c1-17(11-6-2-3-8-13(11)19)9-10-5-4-7-12(18(20)21)14(10)16-15/h4-5,7,11,13,16,19H,2-3,6,8-9,15H2,1H3
InChIKeyZCZKFBJDFFMRNY-UHFFFAOYSA-N
XLogP1.62
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
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'}

Analyze 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-methyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]-6-nitroaniline
CID 107351113
2-[(5-chloro-2-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636666
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-[[cyclopentyl(methyl)amino]methyl]-6-nitro-N-propylaniline
CID 107350798
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
N,2-dimethyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]oxolan-3-amine
CID 107351494

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol (CID 107353144) is 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1cccc([N+](=O)[O-])c1NN)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is ZCZKFBJDFFMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(11-6-2-3-8-13(11)19)9-10-5-4-7-12(18(20)21)14(10)16-15/h4-5,7,11,13,16,19H,2-3,6,8-9,15H2,1H3.
What are the key properties of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol?
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 294.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 107353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).