2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide

C15H23N3O — CID 105351675

IUPAC2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
SMILESCCN(Cc1ccc(C(C)C(=O)NN)cc1)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-18(14-8-9-14)10-12-4-6-13(7-5-12)11(2)15(19)17-16/h4-7,11,14H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyGYTGFMYTHCVAJF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.76
Rot. Bonds6

About 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide

2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide (PubChem CID 105351675) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
PubChem CID105351675
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
SMILESCCN(Cc1ccc(C(C)C(=O)NN)cc1)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-18(14-8-9-14)10-12-4-6-13(7-5-12)11(2)15(19)17-16/h4-7,11,14H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyGYTGFMYTHCVAJF-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.76
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-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
CID 105352093
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]propanehydrazide
CID 105351973
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
CID 105351851
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide (CID 105351675) is 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide is CCN(Cc1ccc(C(C)C(=O)NN)cc1)C1CC1.
What is the InChIKey of 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide?
The InChIKey is GYTGFMYTHCVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(14-8-9-14)10-12-4-6-13(7-5-12)11(2)15(19)17-16/h4-7,11,14H,3,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide?
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105351675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).