N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide

C10H21N3O — CID 116845186

IUPACN-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
SMILESCN1CCC(CCCC(=O)N(C)N)C1
InChIInChI=1S/C10H21N3O/c1-12-7-6-9(8-12)4-3-5-10(14)13(2)11/h9H,3-8,11H2,1-2H3
InChIKeyPSSJDEIYJDXKMZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.44
Rot. Bonds4

About N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide

N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide (PubChem CID 116845186) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
PubChem CID116845186
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
SMILESCN1CCC(CCCC(=O)N(C)N)C1
InChIInChI=1S/C10H21N3O/c1-12-7-6-9(8-12)4-3-5-10(14)13(2)11/h9H,3-8,11H2,1-2H3
InChIKeyPSSJDEIYJDXKMZ-UHFFFAOYSA-N
XLogP0.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
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

N-methyl-3-(1-methylpiperidin-3-yl)propanehydrazide
CID 116845050
N-methyl-2-(1-methylpyrrolidin-3-yl)acetohydrazide
CID 116844900
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide?
The IUPAC name of N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide (CID 116845186) is N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide.
What is the SMILES notation for N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide?
The canonical SMILES for N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide is CN1CCC(CCCC(=O)N(C)N)C1.
What is the InChIKey of N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide?
The InChIKey is PSSJDEIYJDXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-7-6-9(8-12)4-3-5-10(14)13(2)11/h9H,3-8,11H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide?
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide is sourced from PubChem (CID 116845186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).