4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride

C13H22ClN3O — CID 134828118

IUPAC4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride
SMILESCN(C)CCCC(=O)N(C)Nc1ccccc1.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-15(2)11-7-10-13(17)16(3)14-12-8-5-4-6-9-12;/h4-6,8-9,14H,7,10-11H2,1-3H3;1H
InChIKeyQHGPFSYXPIILAY-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.24
Rot. Bonds6

About 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride

4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride (PubChem CID 134828118) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride
PubChem CID134828118
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride
SMILESCN(C)CCCC(=O)N(C)Nc1ccccc1.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-15(2)11-7-10-13(17)16(3)14-12-8-5-4-6-9-12;/h4-6,8-9,14H,7,10-11H2,1-3H3;1H
InChIKeyQHGPFSYXPIILAY-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride (CID 134828118) is 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride is CN(C)CCCC(=O)N(C)Nc1ccccc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride?
The InChIKey is QHGPFSYXPIILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c1-15(2)11-7-10-13(17)16(3)14-12-8-5-4-6-9-12;/h4-6,8-9,14H,7,10-11H2,1-3H3;1H.
What are the key properties of 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride?
4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N'-phenylbutanehydrazide;hydrochloride is sourced from PubChem (CID 134828118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).