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

C12H26N4O — CID 79626351

IUPAC2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
SMILESCN1CCC(CN(C)CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-16(4)8-10-5-6-15(3)7-10/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyINWCORUHNOGCTI-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.11
Rot. Bonds5

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

2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide (PubChem CID 79626351) 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-3-yl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
PubChem CID79626351
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
SMILESCN1CCC(CN(C)CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-16(4)8-10-5-6-15(3)7-10/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyINWCORUHNOGCTI-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
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-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
CID 63927660
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide (CID 79626351) is 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide is CN1CCC(CN(C)CC(C)(C)C(=O)NN)C1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide?
The InChIKey is INWCORUHNOGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,11(17)14-13)9-16(4)8-10-5-6-15(3)7-10/h10H,5-9,13H2,1-4H3,(H,14,17).
What are the key properties of 2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide?
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide has a molecular weight of 242.37 g/mol, XLogP of -0.11, 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-3-yl)methyl]amino]propanehydrazide is sourced from PubChem (CID 79626351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).