3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide

C9H17N3 — CID 130626144

IUPAC3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
SMILESC=CC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C9H17N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h3,8H,1,4-7H2,2H3,(H2,10,11)
InChIKeyHMGXNGZAGPEDLW-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.83
Rot. Bonds2

About 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide

3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide (PubChem CID 130626144) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
PubChem CID130626144
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
SMILESC=CC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C9H17N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h3,8H,1,4-7H2,2H3,(H2,10,11)
InChIKeyHMGXNGZAGPEDLW-UHFFFAOYSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.83
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Bis(prop-2-enyl)-1-propylguanidine
CID 23281969
2-(1-Pyrrolidin-1-ylprop-2-enyl)guanidine
CID 70358009
N'-methyl-N-prop-2-enylpyrrolidine-1-carboximidamide
CID 124175145
N'-(3-methylbut-2-enyl)pyrrolidine-1-carboximidamide
CID 10866957
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
CID 11206275
N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 20383385
N'-ethyl-3-methylpyrrolidine-1-carboximidamide
CID 62362781
3-methyl-N'-propylpyrrolidine-1-carboximidamide
CID 62362782
3-methyl-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 62362996
7-Methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79496751
5-Propan-2-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496901
5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide (CID 130626144) is 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide is C=CC/N=C(\N)N1CCC(C)C1.
What is the InChIKey of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide?
The InChIKey is HMGXNGZAGPEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-11-9(10)12-6-4-8(2)7-12/h3,8H,1,4-7H2,2H3,(H2,10,11).
What are the key properties of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide?
3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide has a molecular weight of 167.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 130626144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).