N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide

C10H19N3 — CID 145237875

IUPACN-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide
SMILESC=CN(CC1CCCN1)/C(C)=N/C
InChIInChI=1S/C10H19N3/c1-4-13(9(2)11-3)8-10-6-5-7-12-10/h4,10,12H,1,5-8H2,2-3H3/b11-9+
InChIKeyODBMKOKXGUAIFD-PKNBQFBNSA-N
MW181.28 g/mol
LogP1.23
Rot. Bonds3

About N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide

N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide (PubChem CID 145237875) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide
PubChem CID145237875
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide
SMILESC=CN(CC1CCCN1)/C(C)=N/C
InChIInChI=1S/C10H19N3/c1-4-13(9(2)11-3)8-10-6-5-7-12-10/h4,10,12H,1,5-8H2,2-3H3/b11-9+
InChIKeyODBMKOKXGUAIFD-PKNBQFBNSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.23
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

(s)-1-((Pyrrolidin-2-yl)methyl)-1h-imidazolium chloride
CID 132275738
3-Pyrrolidin-1-yl-1,2-dihydropyrazine
CID 22636462
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
2-butyl-1-ethyl-1H-imidazol-1-ium chloride
CID 68448346
1,2-dibutyl-1H-imidazol-1-ium bromide
CID 69059001
1-hexyl-2-methyl-1H-imidazol-1-ium chloride
CID 89895572
1-hexyl-2-methyl-1H-imidazol-1-ium bromide
CID 89895587
2-butyl-1-ethyl-1H-imidazol-1-ium iodide
CID 117643340
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine
CID 135258181
N-ethenyl-N'-methylpyrrolidine-2-carboximidamide
CID 145201844
1,2-dipentyl-1H-imidazol-1-ium
CID 148243786

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide (CID 145237875) is N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide is C=CN(CC1CCCN1)/C(C)=N/C.
What is the InChIKey of N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide?
The InChIKey is ODBMKOKXGUAIFD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-13(9(2)11-3)8-10-6-5-7-12-10/h4,10,12H,1,5-8H2,2-3H3/b11-9+.
What are the key properties of N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide?
N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-N-(pyrrolidin-2-ylmethyl)ethanimidamide is sourced from PubChem (CID 145237875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).