N-(1-methylazepan-4-yl)benzohydrazide

C14H21N3O — CID 71608487

IUPACN-(1-methylazepan-4-yl)benzohydrazide
SMILESCN1CCCC(N(N)C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-10-5-8-13(9-11-16)17(15)14(18)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyVDANXPKLEZHIIX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds2

About N-(1-methylazepan-4-yl)benzohydrazide

N-(1-methylazepan-4-yl)benzohydrazide (PubChem CID 71608487) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-methylazepan-4-yl)benzohydrazide.

Molecular Properties

Compound NameN-(1-methylazepan-4-yl)benzohydrazide
PubChem CID71608487
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1-methylazepan-4-yl)benzohydrazide
SMILESCN1CCCC(N(N)C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-10-5-8-13(9-11-16)17(15)14(18)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyVDANXPKLEZHIIX-UHFFFAOYSA-N
XLogP1.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 91373409
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
benzoic acid;1,4-dimethylpiperazine
CID 166460840
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-4-yl)benzohydrazide?
The IUPAC name of N-(1-methylazepan-4-yl)benzohydrazide (CID 71608487) is N-(1-methylazepan-4-yl)benzohydrazide.
What is the SMILES notation for N-(1-methylazepan-4-yl)benzohydrazide?
The canonical SMILES for N-(1-methylazepan-4-yl)benzohydrazide is CN1CCCC(N(N)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-methylazepan-4-yl)benzohydrazide?
The InChIKey is VDANXPKLEZHIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-10-5-8-13(9-11-16)17(15)14(18)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3.
What are the key properties of N-(1-methylazepan-4-yl)benzohydrazide?
N-(1-methylazepan-4-yl)benzohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-4-yl)benzohydrazide is sourced from PubChem (CID 71608487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).