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

C14H23N3O — CID 83047917

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N3O/c1-4-5-13(14(18)16-15)17(3)10-12-8-6-11(2)7-9-12/h6-9,13H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyLGIJWIDYVCLLJC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds6

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

2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide (PubChem CID 83047917) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
PubChem CID83047917
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N3O/c1-4-5-13(14(18)16-15)17(3)10-12-8-6-11(2)7-9-12/h6-9,13H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyLGIJWIDYVCLLJC-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

2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
CID 83047665
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919
2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
CID 63584965
2-[(3-bromophenyl)methyl-methylamino]butanehydrazide
CID 55212097
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17412930
(2R)-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40880591
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide (CID 83047917) is 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide is CCCC(C(=O)NN)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide?
The InChIKey is LGIJWIDYVCLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-13(14(18)16-15)17(3)10-12-8-6-11(2)7-9-12/h6-9,13H,4-5,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide?
2-[methyl-[(4-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 2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide is sourced from PubChem (CID 83047917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).