2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide

C12H26N4O2 — CID 63577903

IUPAC2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(C)CCC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-8-16(9-12(18)15(3)4)10(2)6-7-11(17)14-13/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyJILQGPTVBWPQHC-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.05
Rot. Bonds8

About 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide

2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 63577903) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID63577903
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(C)CCC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-8-16(9-12(18)15(3)4)10(2)6-7-11(17)14-13/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyJILQGPTVBWPQHC-UHFFFAOYSA-N
XLogP-0.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1-hydrazinyl-1-oxopropan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63578798
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
CID 55214049
2-[(5-hydrazinyl-5-oxopentyl)-methylamino]-N,N-dimethylacetamide
CID 63572911
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
4-[piperidin-4-yl(propyl)amino]pentanehydrazide
CID 63579313
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
2-[(1-amino-1-sulfanylidenepentan-3-yl)-propylamino]-N,N-dimethylacetamide
CID 54985350
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide (CID 63577903) is 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)C(C)CCC(=O)NN.
What is the InChIKey of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is JILQGPTVBWPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-8-16(9-12(18)15(3)4)10(2)6-7-11(17)14-13/h10H,5-9,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide?
2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 258.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 63577903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).