[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine

C14H22N4O2 — CID 80931283

IUPAC[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
SMILESCC1(C)CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H22N4O2/c1-14(2)7-4-9-17(10-8-14)12-6-3-5-11(16-15)13(12)18(19)20/h3,5-6,16H,4,7-10,15H2,1-2H3
InChIKeyOLLSYBOISUSUNF-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds3

About [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine

[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine (PubChem CID 80931283) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
PubChem CID80931283
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
SMILESCC1(C)CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H22N4O2/c1-14(2)7-4-9-17(10-8-14)12-6-3-5-11(16-15)13(12)18(19)20/h3,5-6,16H,4,7-10,15H2,1-2H3
InChIKeyOLLSYBOISUSUNF-UHFFFAOYSA-N
XLogP2.90
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80918182
[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
CID 80898807
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
3-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-nitroaniline
CID 80854448
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
3-(3-methoxy-3-methylpiperidin-1-yl)-N-methyl-2-nitroaniline
CID 107396329
(3,3-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
CID 115549690
4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione
CID 80925586
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
CID 80904465

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine (CID 80931283) is [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine is CC1(C)CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The InChIKey is OLLSYBOISUSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2)7-4-9-17(10-8-14)12-6-3-5-11(16-15)13(12)18(19)20/h3,5-6,16H,4,7-10,15H2,1-2H3.
What are the key properties of [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine?
[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80931283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).