2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide

C16H25N3O — CID 115465420

IUPAC2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
SMILESCCCN(Cc1ccccc1CC(=O)NN)CC1CC1
InChIInChI=1S/C16H25N3O/c1-2-9-19(11-13-7-8-13)12-15-6-4-3-5-14(15)10-16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyUWVLNTUFJPUPDX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.84
Rot. Bonds8

About 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide

2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 115465420) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
PubChem CID115465420
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
SMILESCCCN(Cc1ccccc1CC(=O)NN)CC1CC1
InChIInChI=1S/C16H25N3O/c1-2-9-19(11-13-7-8-13)12-15-6-4-3-5-14(15)10-16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyUWVLNTUFJPUPDX-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.84
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-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564
2-[[2-[cyclopropylmethyl(propyl)amino]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 86910908

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide (CID 115465420) is 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide is CCCN(Cc1ccccc1CC(=O)NN)CC1CC1.
What is the InChIKey of 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is UWVLNTUFJPUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-19(11-13-7-8-13)12-15-6-4-3-5-14(15)10-16(20)18-17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide?
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).