(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone

C16H25N3O — CID 104691843

IUPAC(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(NN)cc1C
InChIInChI=1S/C16H25N3O/c1-3-14-7-5-4-6-10-19(14)16(20)15-9-8-13(18-17)11-12(15)2/h8-9,11,14,18H,3-7,10,17H2,1-2H3
InChIKeyYGDCVWVJAMCLGQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.08
Rot. Bonds3

About (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone

(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone (PubChem CID 104691843) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone
PubChem CID104691843
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(NN)cc1C
InChIInChI=1S/C16H25N3O/c1-3-14-7-5-4-6-10-19(14)16(20)15-9-8-13(18-17)11-12(15)2/h8-9,11,14,18H,3-7,10,17H2,1-2H3
InChIKeyYGDCVWVJAMCLGQ-UHFFFAOYSA-N
XLogP3.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone?
The IUPAC name of (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone (CID 104691843) is (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone is CCC1CCCCCN1C(=O)c1ccc(NN)cc1C.
What is the InChIKey of (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone?
The InChIKey is YGDCVWVJAMCLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14-7-5-4-6-10-19(14)16(20)15-9-8-13(18-17)11-12(15)2/h8-9,11,14,18H,3-7,10,17H2,1-2H3.
What are the key properties of (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone?
(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone is sourced from PubChem (CID 104691843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).