3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide

C14H23N3O — CID 116849694

IUPAC3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
SMILESCNNC(=O)CC(N)c1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23N3O/c1-9(2)11-6-5-10(3)12(7-11)13(15)8-14(18)17-16-4/h5-7,9,13,16H,8,15H2,1-4H3,(H,17,18)
InChIKeyYWVNLNKIXPZPSW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide

3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide (PubChem CID 116849694) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
PubChem CID116849694
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
SMILESCNNC(=O)CC(N)c1cc(C(C)C)ccc1C
InChIInChI=1S/C14H23N3O/c1-9(2)11-6-5-10(3)12(7-11)13(15)8-14(18)17-16-4/h5-7,9,13,16H,8,15H2,1-4H3,(H,17,18)
InChIKeyYWVNLNKIXPZPSW-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.76
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

3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
CID 112516981
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The IUPAC name of 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide (CID 116849694) is 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide is CNNC(=O)CC(N)c1cc(C(C)C)ccc1C.
What is the InChIKey of 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The InChIKey is YWVNLNKIXPZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)11-6-5-10(3)12(7-11)13(15)8-14(18)17-16-4/h5-7,9,13,16H,8,15H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide?
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide is sourced from PubChem (CID 116849694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).