2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide

C16H25N3O — CID 105351719

IUPAC2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
SMILESCCN(Cc1ccc(CC(=O)NN)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-5-3-4-6-15)12-14-9-7-13(8-10-14)11-16(20)18-17/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyHPKAPCOFNFIYSF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds6

About 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351719) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351719
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
SMILESCCN(Cc1ccc(CC(=O)NN)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-5-3-4-6-15)12-14-9-7-13(8-10-14)11-16(20)18-17/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyHPKAPCOFNFIYSF-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
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-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
CID 105351935
2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
CID 105351807
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
CID 105351888
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide (CID 105351719) is 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide is CCN(Cc1ccc(CC(=O)NN)cc1)C1CCCC1.
What is the InChIKey of 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is HPKAPCOFNFIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(15-5-3-4-6-15)12-14-9-7-13(8-10-14)11-16(20)18-17/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).