N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide

C9H17N3 — CID 130714980

IUPACN'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide
SMILESC=C(C)C/N=C(\N)N1CCCC1
InChIInChI=1S/C9H17N3/c1-8(2)7-11-9(10)12-5-3-4-6-12/h1,3-7H2,2H3,(H2,10,11)
InChIKeyPVKCWFVFQOIPFJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.97
Rot. Bonds2

About N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide

N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide (PubChem CID 130714980) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide
PubChem CID130714980
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide
SMILESC=C(C)C/N=C(\N)N1CCCC1
InChIInChI=1S/C9H17N3/c1-8(2)7-11-9(10)12-5-3-4-6-12/h1,3-7H2,2H3,(H2,10,11)
InChIKeyPVKCWFVFQOIPFJ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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

1,1,2-Tris(3-methylbut-3-enyl)guanidine
CID 163189609
N'-(3-methylbut-2-enyl)pyrrolidine-1-carboximidamide
CID 10866957
N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 20383385
2-(2-Methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034802
2-(2-Methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111034803
2-(2-Methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059808
2-(2-Methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111059809
1-[4-(Diethylamino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060027
2-(2-Methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065380
1-[(1-Ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 111065576
2-(2-Methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111081823
2-(2-Methylprop-2-enyl)-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]guanidine
CID 112228906

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide (CID 130714980) is N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide is C=C(C)C/N=C(\N)N1CCCC1.
What is the InChIKey of N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide?
The InChIKey is PVKCWFVFQOIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)7-11-9(10)12-5-3-4-6-12/h1,3-7H2,2H3,(H2,10,11).
What are the key properties of N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide?
N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide has a molecular weight of 167.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 130714980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).