N'-methyl-2-propylpyrrolidine-1-carboximidamide

C9H19N3 — CID 131197347

IUPACN'-methyl-2-propylpyrrolidine-1-carboximidamide
SMILESCCCC1CCCN1/C(N)=N/C
InChIInChI=1S/C9H19N3/c1-3-5-8-6-4-7-12(8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyVMLRQXGPOHRWGG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.20
Rot. Bonds2

About N'-methyl-2-propylpyrrolidine-1-carboximidamide

N'-methyl-2-propylpyrrolidine-1-carboximidamide (PubChem CID 131197347) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-methyl-2-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-propylpyrrolidine-1-carboximidamide
PubChem CID131197347
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-methyl-2-propylpyrrolidine-1-carboximidamide
SMILESCCCC1CCCN1/C(N)=N/C
InChIInChI=1S/C9H19N3/c1-3-5-8-6-4-7-12(8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyVMLRQXGPOHRWGG-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-propylpiperidine-1-carbothioamide
CID 83053270
1-hydroxy-2-propylpyrrolidine
CID 123695785
N',2-dimethylpiperidine-1-carboximidamide
CID 62358591
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947
N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053484
N-amino-N'-cyclohexyl-2-propylpiperidine-1-carboximidamide
CID 104887901
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
3-ethyl-N'-hydroxymorpholine-4-carboximidamide
CID 62481677
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
1-(2-propylpiperidin-1-yl)ethanimine
CID 83061487
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-2-propylpyrrolidine-1-carboximidamide (CID 131197347) is N'-methyl-2-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-2-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-2-propylpyrrolidine-1-carboximidamide is CCCC1CCCN1/C(N)=N/C.
What is the InChIKey of N'-methyl-2-propylpyrrolidine-1-carboximidamide?
The InChIKey is VMLRQXGPOHRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-8-6-4-7-12(8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-methyl-2-propylpyrrolidine-1-carboximidamide?
N'-methyl-2-propylpyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 131197347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).