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

C14H21N3O — CID 115465383

IUPAC2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccccc1CC(=O)NN)CC1CC1
InChIInChI=1S/C14H21N3O/c1-17(9-11-6-7-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyRKGLIGXFOFHHGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.06
Rot. Bonds6

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

2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 115465383) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
PubChem CID115465383
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccccc1CC(=O)NN)CC1CC1
InChIInChI=1S/C14H21N3O/c1-17(9-11-6-7-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyRKGLIGXFOFHHGS-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.06
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(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-[cyclopropylmethyl(methyl)amino]propanehydrazide
CID 63571724
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide (CID 115465383) is 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide is CN(Cc1ccccc1CC(=O)NN)CC1CC1.
What is the InChIKey of 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is RKGLIGXFOFHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(9-11-6-7-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide?
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).