2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide

C8H18N4O — CID 130562628

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
SMILESCC1(CN)CCN(CC(=O)NN)C1
InChIInChI=1S/C8H18N4O/c1-8(5-9)2-3-12(6-8)4-7(13)11-10/h2-6,9-10H2,1H3,(H,11,13)
InChIKeyKLEWPOCPWFHBEH-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.35
Rot. Bonds3

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide (PubChem CID 130562628) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
PubChem CID130562628
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
SMILESCC1(CN)CCN(CC(=O)NN)C1
InChIInChI=1S/C8H18N4O/c1-8(5-9)2-3-12(6-8)4-7(13)11-10/h2-6,9-10H2,1H3,(H,11,13)
InChIKeyKLEWPOCPWFHBEH-UHFFFAOYSA-N
XLogP-1.35
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
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-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
CID 120772051
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 120772746

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide (CID 130562628) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide is CC1(CN)CCN(CC(=O)NN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide?
The InChIKey is KLEWPOCPWFHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-8(5-9)2-3-12(6-8)4-7(13)11-10/h2-6,9-10H2,1H3,(H,11,13).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide has a molecular weight of 186.26 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide is sourced from PubChem (CID 130562628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).