3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide

C11H24N4O — CID 79317659

IUPAC3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCN1C
InChIInChI=1S/C11H24N4O/c1-9(7-11(16)13-12)15(3)8-10-5-4-6-14(10)2/h9-10H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyXRSQSLGGBFITDL-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.22
Rot. Bonds5

About 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide

3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide (PubChem CID 79317659) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
PubChem CID79317659
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCN1C
InChIInChI=1S/C11H24N4O/c1-9(7-11(16)13-12)15(3)8-10-5-4-6-14(10)2/h9-10H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyXRSQSLGGBFITDL-UHFFFAOYSA-N
XLogP-0.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.22
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'}

Analyze 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
CID 79303980
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
CID 79312802
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide?
The IUPAC name of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide (CID 79317659) is 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide.
What is the SMILES notation for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide?
The canonical SMILES for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide is CC(CC(=O)NN)N(C)CC1CCCN1C.
What is the InChIKey of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide?
The InChIKey is XRSQSLGGBFITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(7-11(16)13-12)15(3)8-10-5-4-6-14(10)2/h9-10H,4-8,12H2,1-3H3,(H,13,16).
What are the key properties of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide?
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide has a molecular weight of 228.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide is sourced from PubChem (CID 79317659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).