2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide

C12H26N4O — CID 63573193

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H26N4O/c1-9(2)11(12(17)14-13)16-7-5-6-10(16)8-15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyVARMRSNQONRQCN-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.03
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide (PubChem CID 63573193) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
PubChem CID63573193
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H26N4O/c1-9(2)11(12(17)14-13)16-7-5-6-10(16)8-15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyVARMRSNQONRQCN-UHFFFAOYSA-N
XLogP0.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide (CID 63573193) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide is CC(C)C(C(=O)NN)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide?
The InChIKey is VARMRSNQONRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(2)11(12(17)14-13)16-7-5-6-10(16)8-15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide is sourced from PubChem (CID 63573193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).