N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide

C11H21ClN4 — CID 134270645

IUPACN-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide
SMILESC=C(CNC)N1CCCC1/C(=N/C)NCCl
InChIInChI=1S/C11H21ClN4/c1-9(7-13-2)16-6-4-5-10(16)11(14-3)15-8-12/h10,13H,1,4-8H2,2-3H3,(H,14,15)
InChIKeyLMPZFNFNZULGIC-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.00
Rot. Bonds5

About N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide

N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide (PubChem CID 134270645) has the molecular formula C11H21ClN4 and a molecular weight of 244.77 g/mol. Its IUPAC name is N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide
PubChem CID134270645
Molecular FormulaC11H21ClN4
Molecular Weight244.77 g/mol
Exact Mass244.15
IUPAC NameN-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide
SMILESC=C(CNC)N1CCCC1/C(=N/C)NCCl
InChIInChI=1S/C11H21ClN4/c1-9(7-13-2)16-6-4-5-10(16)11(14-3)15-8-12/h10,13H,1,4-8H2,2-3H3,(H,14,15)
InChIKeyLMPZFNFNZULGIC-UHFFFAOYSA-N
XLogP1.00
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
4,5-dimethylidene-2-pyrrolidin-2-yl-1H-imidazole;ethane
CID 144294252
(2S)-N-[(Z)-2-aminoethenyl]-N,N'-dimethylpyrrolidine-2-carboximidamide
CID 156461331
N,N'-dimethyl-N-[(Z)-2-(methylamino)ethenyl]pyrrolidine-2-carboximidamide
CID 163785999

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide?
The IUPAC name of N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide (CID 134270645) is N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide?
The canonical SMILES for N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide is C=C(CNC)N1CCCC1/C(=N/C)NCCl.
What is the InChIKey of N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide?
The InChIKey is LMPZFNFNZULGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4/c1-9(7-13-2)16-6-4-5-10(16)11(14-3)15-8-12/h10,13H,1,4-8H2,2-3H3,(H,14,15).
What are the key properties of N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide?
N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide has a molecular weight of 244.77 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N'-methyl-1-[3-(methylamino)prop-1-en-2-yl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 134270645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).