3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide

C13H21N3O — CID 116848740

IUPAC3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(N)CC(=O)NN)cc1
InChIInChI=1S/C13H21N3O/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13(17)16-15/h3-6,9,12H,7-8,14-15H2,1-2H3,(H,16,17)
InChIKeyIQPKULPOUCYJED-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds5

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

3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 116848740) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID116848740
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(N)CC(=O)NN)cc1
InChIInChI=1S/C13H21N3O/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13(17)16-15/h3-6,9,12H,7-8,14-15H2,1-2H3,(H,16,17)
InChIKeyIQPKULPOUCYJED-UHFFFAOYSA-N
XLogP1.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
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

methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
3-amino-3-(4-tert-butylphenyl)propanehydrazide
CID 116848720
(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 70810306
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
CID 119763696
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 116848740) is 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide is CC(C)Cc1ccc(C(N)CC(=O)NN)cc1.
What is the InChIKey of 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is IQPKULPOUCYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13(17)16-15/h3-6,9,12H,7-8,14-15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide?
3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 116848740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).