2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide

C16H27N3O — CID 105351918

IUPAC2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C)CCN(C)Cc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-19(4)11-14-5-7-15(8-6-14)13(3)16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyVRGWGHIHYKIPRB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.26
Rot. Bonds7

About 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide

2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide (PubChem CID 105351918) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
PubChem CID105351918
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C)CCN(C)Cc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-19(4)11-14-5-7-15(8-6-14)13(3)16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyVRGWGHIHYKIPRB-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
CID 105352093
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
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-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide (CID 105351918) is 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide is CC(C)CCN(C)Cc1ccc(C(C)C(=O)NN)cc1.
What is the InChIKey of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide?
The InChIKey is VRGWGHIHYKIPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-10-19(4)11-14-5-7-15(8-6-14)13(3)16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide?
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide has a molecular weight of 277.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105351918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).