2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide

C15H26N4O — CID 105351961

IUPAC2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N4O/c1-12(15(20)17-16)14-7-5-13(6-8-14)11-19(4)10-9-18(2)3/h5-8,12H,9-11,16H2,1-4H3,(H,17,20)
InChIKeyGYHJFPBQVGPYQI-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.77
Rot. Bonds7

About 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide

2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide (PubChem CID 105351961) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
PubChem CID105351961
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N4O/c1-12(15(20)17-16)14-7-5-13(6-8-14)11-19(4)10-9-18(2)3/h5-8,12H,9-11,16H2,1-4H3,(H,17,20)
InChIKeyGYHJFPBQVGPYQI-UHFFFAOYSA-N
XLogP0.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
CID 105352093
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]propanehydrazide
CID 105351973
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
CID 105351851
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
2-[4-[[(2-amino-2-oxoethyl)-methylamino]methyl]phenyl]propanoic acid
CID 105345669
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide (CID 105351961) is 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN(C)CCN(C)C)cc1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide?
The InChIKey is GYHJFPBQVGPYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(15(20)17-16)14-7-5-13(6-8-14)11-19(4)10-9-18(2)3/h5-8,12H,9-11,16H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide?
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide has a molecular weight of 278.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105351961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).