2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide

C12H26N4O — CID 83047306

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
SMILESCCCC(C(=O)NN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H26N4O/c1-5-6-10(12(17)14-13)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyHQAVNEKUJQGAOH-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.03
Rot. Bonds5

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide (PubChem CID 83047306) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
PubChem CID83047306
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
SMILESCCCC(C(=O)NN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H26N4O/c1-5-6-10(12(17)14-13)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyHQAVNEKUJQGAOH-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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Related Compounds

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanethioamide
CID 81464140
2-(azocan-1-yl)pentanehydrazide
CID 83047792
2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
CID 81474961
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
1-[1-(ethylamino)pentan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 83055181
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylbutanoate
CID 81475565
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
2-(1,4-thiazepan-4-yl)pentanehydrazide
CID 83047299
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanehydrazide
CID 83047550
4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one
CID 81463809
2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide (CID 83047306) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide is CCCC(C(=O)NN)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide?
The InChIKey is HQAVNEKUJQGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-5-6-10(12(17)14-13)16-7-9(2)11(8-16)15(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide 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-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide is sourced from PubChem (CID 83047306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).