2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide

C12H26N4O — CID 79631821

IUPAC2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
SMILESCN(CC1CCCN1C)CC(C)(C)C(=O)NN
InChIInChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-15(3)8-10-6-5-7-16(10)4/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyJJVSIAPKWMBUJQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.03
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide

2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide (PubChem CID 79631821) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
PubChem CID79631821
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
SMILESCN(CC1CCCN1C)CC(C)(C)C(=O)NN
InChIInChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-15(3)8-10-6-5-7-16(10)4/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyJJVSIAPKWMBUJQ-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

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79314867
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
CID 79318759
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide (CID 79631821) is 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide is CN(CC1CCCN1C)CC(C)(C)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide?
The InChIKey is JJVSIAPKWMBUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-15(3)8-10-6-5-7-16(10)4/h10H,5-9,13H2,1-4H3,(H,14,17).
What are the key properties of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide?
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide 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-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide is sourced from PubChem (CID 79631821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).