2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide

C13H22N4O — CID 83047665

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)CCc1ccncc1
InChIInChI=1S/C13H22N4O/c1-3-4-12(13(18)16-14)17(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3,(H,16,18)
InChIKeyJEWJBRVDMGTPLJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.71
Rot. Bonds7

About 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide

2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide (PubChem CID 83047665) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
PubChem CID83047665
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)CCc1ccncc1
InChIInChI=1S/C13H22N4O/c1-3-4-12(13(18)16-14)17(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3,(H,16,18)
InChIKeyJEWJBRVDMGTPLJ-UHFFFAOYSA-N
XLogP0.71
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
1-pyridin-4-ylhexan-3-amine
CID 105080578
3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
CID 116513513
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
2-(cyclopropylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 63054235
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide (CID 83047665) is 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide is CCCC(C(=O)NN)N(C)CCc1ccncc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide?
The InChIKey is JEWJBRVDMGTPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-12(13(18)16-14)17(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3,(H,16,18).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide?
2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide has a molecular weight of 250.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide is sourced from PubChem (CID 83047665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).