2-(1,1-dideuteriopentylamino)acetohydrazide

C7H17N3O — CID 22841836

IUPAC2-(1,1-dideuteriopentylamino)acetohydrazide
SMILES[2H]C([2H])(CCCC)NCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D2
InChIKeyYESKJVHQZSUSOT-BFWBPSQCSA-N
MW161.25 g/mol
LogP-0.24
Rot. Bonds6

About 2-(1,1-dideuteriopentylamino)acetohydrazide

2-(1,1-dideuteriopentylamino)acetohydrazide (PubChem CID 22841836) has the molecular formula C7H17N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(1,1-dideuteriopentylamino)acetohydrazide.

Molecular Properties

Compound Name2-(1,1-dideuteriopentylamino)acetohydrazide
PubChem CID22841836
Molecular FormulaC7H17N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC Name2-(1,1-dideuteriopentylamino)acetohydrazide
SMILES[2H]C([2H])(CCCC)NCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D2
InChIKeyYESKJVHQZSUSOT-BFWBPSQCSA-N
XLogP-0.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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

Glycine, N,N-dipropyl-, hydrazide
CID 17542
Glycine, N,N-dibutyl-, hydrazide
CID 17544
Glycine, N,N-dipentyl-, hydrazide
CID 17546
Glycine, N,N-dihexyl-, hydrazide
CID 17866
2-Hydrazineyl-2-oxo-N-pentylacetamide
CID 43163871
N-Hexyl-2-hydrazineyl-2-oxoacetamide
CID 54005677
2-(Ethylamino)acetohydrazide
CID 13040312
(2-Hydrazinyl-2-oxoethyl)-tripropylazanium
CID 13743712
2-hydrazinyl-2-oxo-N-propylacetamide
CID 17201938
2-(Butylamino)-2-oxoacetic acid hydrazide
CID 17201939
2-[Acetamido(pentyl)amino]-2-oxoacetamide
CID 22004304
2-(1-Deuteriopentylamino)acetohydrazide
CID 22841864

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuteriopentylamino)acetohydrazide?
The IUPAC name of 2-(1,1-dideuteriopentylamino)acetohydrazide (CID 22841836) is 2-(1,1-dideuteriopentylamino)acetohydrazide.
What is the SMILES notation for 2-(1,1-dideuteriopentylamino)acetohydrazide?
The canonical SMILES for 2-(1,1-dideuteriopentylamino)acetohydrazide is [2H]C([2H])(CCCC)NCC(=O)NN.
What is the InChIKey of 2-(1,1-dideuteriopentylamino)acetohydrazide?
The InChIKey is YESKJVHQZSUSOT-BFWBPSQCSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-4-5-9-6-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)/i5D2.
What are the key properties of 2-(1,1-dideuteriopentylamino)acetohydrazide?
2-(1,1-dideuteriopentylamino)acetohydrazide has a molecular weight of 161.25 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuteriopentylamino)acetohydrazide is sourced from PubChem (CID 22841836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).