4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide

C14H23N3O — CID 63585520

IUPAC4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
SMILESCc1ccccc1CN(C)C(C)CCC(=O)NN
InChIInChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)10-17(3)12(2)8-9-14(18)16-15/h4-7,12H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyTVZVKUOQLWNROL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds6

About 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide

4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide (PubChem CID 63585520) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide.

Molecular Properties

Compound Name4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
PubChem CID63585520
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
SMILESCc1ccccc1CN(C)C(C)CCC(=O)NN
InChIInChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)10-17(3)12(2)8-9-14(18)16-15/h4-7,12H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyTVZVKUOQLWNROL-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.59
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

3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide?
The IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide (CID 63585520) is 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide.
What is the SMILES notation for 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide?
The canonical SMILES for 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide is Cc1ccccc1CN(C)C(C)CCC(=O)NN.
What is the InChIKey of 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide?
The InChIKey is TVZVKUOQLWNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)10-17(3)12(2)8-9-14(18)16-15/h4-7,12H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide?
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide is sourced from PubChem (CID 63585520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).