4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride

C12H20ClN3O — CID 9703

IUPAC4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H
InChIKeyDERJYEZSLHIUKF-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.47
Rot. Bonds5

About 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 9703) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
PubChem CID9703
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H
InChIKeyDERJYEZSLHIUKF-UHFFFAOYSA-N
XLogP1.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
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CID 153377467
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
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4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 87601837
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
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4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride (CID 9703) is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride is CNNCc1ccc(C(=O)NC(C)C)cc1.Cl.
What is the InChIKey of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is DERJYEZSLHIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride?
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 9703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).