N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide

C9H17N3 — CID 131225012

IUPACN-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1)N1CCCC1
InChIInChI=1S/C9H17N3/c1-10-9(11-8-4-5-8)12-6-2-3-7-12/h8H,2-7H2,1H3,(H,10,11)
InChIKeyZJMAWIBBXLZTBG-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.82
Rot. Bonds1

About N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide

N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 131225012) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
PubChem CID131225012
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1)N1CCCC1
InChIInChI=1S/C9H17N3/c1-10-9(11-8-4-5-8)12-6-2-3-7-12/h8H,2-7H2,1H3,(H,10,11)
InChIKeyZJMAWIBBXLZTBG-UHFFFAOYSA-N
XLogP0.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.82
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

N-cyclobutyl-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119153414
N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732530
N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743695
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119153263
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
2-[4-(N-cyclobutyl-N'-methylcarbamimidoyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 119153497
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
CID 119115989
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111756780
N-cyclobutyl-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154085
N-cyclopropyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740907
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide (CID 131225012) is N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NC1CC1)N1CCCC1.
What is the InChIKey of N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is ZJMAWIBBXLZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-10-9(11-8-4-5-8)12-6-2-3-7-12/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide?
N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 167.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 131225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).