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

C14H22N4O2 — CID 80918182

IUPAC[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
SMILESCCC1CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H22N4O2/c1-2-11-5-4-9-17(10-8-11)13-7-3-6-12(16-15)14(13)18(19)20/h3,6-7,11,16H,2,4-5,8-10,15H2,1H3
InChIKeyGTCVGXHVLQRTBR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds4

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

[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine (PubChem CID 80918182) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
PubChem CID80918182
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
SMILESCCC1CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H22N4O2/c1-2-11-5-4-9-17(10-8-11)13-7-3-6-12(16-15)14(13)18(19)20/h3,6-7,11,16H,2,4-5,8-10,15H2,1H3
InChIKeyGTCVGXHVLQRTBR-UHFFFAOYSA-N
XLogP2.90
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine (CID 80918182) is [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine is CCC1CCCN(c2cccc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine?
The InChIKey is GTCVGXHVLQRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-11-5-4-9-17(10-8-11)13-7-3-6-12(16-15)14(13)18(19)20/h3,6-7,11,16H,2,4-5,8-10,15H2,1H3.
What are the key properties of [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine?
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80918182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).