2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide

C13H26N4O — CID 79408685

IUPAC2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H26N4O/c1-10(13(18)15-14)11(2)17-8-5-12(9-17)16-6-3-4-7-16/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyDTMXWPGTYARLNV-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.17
Rot. Bonds4

About 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide

2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide (PubChem CID 79408685) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
PubChem CID79408685
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H26N4O/c1-10(13(18)15-14)11(2)17-8-5-12(9-17)16-6-3-4-7-16/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyDTMXWPGTYARLNV-UHFFFAOYSA-N
XLogP0.17
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.17
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

methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 63573609
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide?
The IUPAC name of 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide (CID 79408685) is 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide.
What is the SMILES notation for 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide?
The canonical SMILES for 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide is CC(C(=O)NN)C(C)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide?
The InChIKey is DTMXWPGTYARLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(13(18)15-14)11(2)17-8-5-12(9-17)16-6-3-4-7-16/h10-12H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide?
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide has a molecular weight of 254.38 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide is sourced from PubChem (CID 79408685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).