2-ethylazepane-1-carbohydrazide

C9H19N3O — CID 104691127

IUPAC2-ethylazepane-1-carbohydrazide
SMILESCCC1CCCCCN1C(=O)NN
InChIInChI=1S/C9H19N3O/c1-2-8-6-4-3-5-7-12(8)9(13)11-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyKZTCEYJQHWFVTM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.22
Rot. Bonds1

About 2-ethylazepane-1-carbohydrazide

2-ethylazepane-1-carbohydrazide (PubChem CID 104691127) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethylazepane-1-carbohydrazide.

Molecular Properties

Compound Name2-ethylazepane-1-carbohydrazide
PubChem CID104691127
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-ethylazepane-1-carbohydrazide
SMILESCCC1CCCCCN1C(=O)NN
InChIInChI=1S/C9H19N3O/c1-2-8-6-4-3-5-7-12(8)9(13)11-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyKZTCEYJQHWFVTM-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethylazepane-1-carbohydrazide 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

N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702

Frequently Asked Questions

What is the IUPAC name of 2-ethylazepane-1-carbohydrazide?
The IUPAC name of 2-ethylazepane-1-carbohydrazide (CID 104691127) is 2-ethylazepane-1-carbohydrazide.
What is the SMILES notation for 2-ethylazepane-1-carbohydrazide?
The canonical SMILES for 2-ethylazepane-1-carbohydrazide is CCC1CCCCCN1C(=O)NN.
What is the InChIKey of 2-ethylazepane-1-carbohydrazide?
The InChIKey is KZTCEYJQHWFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-8-6-4-3-5-7-12(8)9(13)11-10/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-ethylazepane-1-carbohydrazide?
2-ethylazepane-1-carbohydrazide has a molecular weight of 185.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylazepane-1-carbohydrazide is sourced from PubChem (CID 104691127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).