N'-(1-methylpyrrolidin-3-yl)butanimidamide

C9H19N3 — CID 63177561

IUPACN'-(1-methylpyrrolidin-3-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCN(C)C1
InChIInChI=1S/C9H19N3/c1-3-4-9(10)11-8-5-6-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZTEHCDJEIIZALC-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.85
Rot. Bonds3

About N'-(1-methylpyrrolidin-3-yl)butanimidamide

N'-(1-methylpyrrolidin-3-yl)butanimidamide (PubChem CID 63177561) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-(1-methylpyrrolidin-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-(1-methylpyrrolidin-3-yl)butanimidamide
PubChem CID63177561
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-(1-methylpyrrolidin-3-yl)butanimidamide
SMILESCCC/C(N)=N\C1CCN(C)C1
InChIInChI=1S/C9H19N3/c1-3-4-9(10)11-8-5-6-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZTEHCDJEIIZALC-UHFFFAOYSA-N
XLogP0.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 62363794
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
N'-(2,2-dimethyloxolan-3-yl)butanimidamide
CID 130993560
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
N-(1-methylpiperidin-4-yl)propan-2-imine
CID 123600860
N'-(4-methylcyclohexyl)propanimidamide
CID 62049807
N'-(2,2-dimethylcyclohexyl)butanimidamide
CID 79872965
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
CID 130802880
N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide
CID 107165255
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrrolidin-3-yl)butanimidamide?
The IUPAC name of N'-(1-methylpyrrolidin-3-yl)butanimidamide (CID 63177561) is N'-(1-methylpyrrolidin-3-yl)butanimidamide.
What is the SMILES notation for N'-(1-methylpyrrolidin-3-yl)butanimidamide?
The canonical SMILES for N'-(1-methylpyrrolidin-3-yl)butanimidamide is CCC/C(N)=N\C1CCN(C)C1.
What is the InChIKey of N'-(1-methylpyrrolidin-3-yl)butanimidamide?
The InChIKey is ZTEHCDJEIIZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-4-9(10)11-8-5-6-12(2)7-8/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-(1-methylpyrrolidin-3-yl)butanimidamide?
N'-(1-methylpyrrolidin-3-yl)butanimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrrolidin-3-yl)butanimidamide is sourced from PubChem (CID 63177561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).