(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone

C16H25N3O — CID 65286838

IUPAC(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1NN
InChIInChI=1S/C16H25N3O/c1-12-11-13(5-6-14(12)18-17)15(20)19-9-4-7-16(2,3)8-10-19/h5-6,11,18H,4,7-10,17H2,1-3H3
InChIKeyPODYNWODMFBSND-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.93
Rot. Bonds2

About (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone

(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone (PubChem CID 65286838) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
PubChem CID65286838
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1NN
InChIInChI=1S/C16H25N3O/c1-12-11-13(5-6-14(12)18-17)15(20)19-9-4-7-16(2,3)8-10-19/h5-6,11,18H,4,7-10,17H2,1-3H3
InChIKeyPODYNWODMFBSND-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.93
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

(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 79946189
(4-bromo-3-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282660
(3-chloro-4-iodophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 103222128
(4-hydrazinyl-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79166049
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone (CID 65286838) is (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC(C)(C)CC2)ccc1NN.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone?
The InChIKey is PODYNWODMFBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-11-13(5-6-14(12)18-17)15(20)19-9-4-7-16(2,3)8-10-19/h5-6,11,18H,4,7-10,17H2,1-3H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone?
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone is sourced from PubChem (CID 65286838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).