N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide

C14H19N3 — CID 13258794

IUPACN'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
SMILESC=C(C)c1ccccc1/N=C(\N)N1CCCC1
InChIInChI=1S/C14H19N3/c1-11(2)12-7-3-4-8-13(12)16-14(15)17-9-5-6-10-17/h3-4,7-8H,1,5-6,9-10H2,2H3,(H2,15,16)
InChIKeyVLZPTLDITLEDDK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds2

About N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide

N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide (PubChem CID 13258794) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
PubChem CID13258794
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
SMILESC=C(C)c1ccccc1/N=C(\N)N1CCCC1
InChIInChI=1S/C14H19N3/c1-11(2)12-7-3-4-8-13(12)16-14(15)17-9-5-6-10-17/h3-4,7-8H,1,5-6,9-10H2,2H3,(H2,15,16)
InChIKeyVLZPTLDITLEDDK-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
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-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
CID 19599228
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
CID 171829484
N'-(2-piperidin-1-ylphenyl)morpholine-4-carboximidamide
CID 15746476
1-isothiocyanato-2-prop-1-en-2-ylbenzene
CID 139616669
N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
CID 19599263
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine
CID 165401096
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704

Frequently Asked Questions

What is the IUPAC name of N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide (CID 13258794) is N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide is C=C(C)c1ccccc1/N=C(\N)N1CCCC1.
What is the InChIKey of N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide?
The InChIKey is VLZPTLDITLEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)12-7-3-4-8-13(12)16-14(15)17-9-5-6-10-17/h3-4,7-8H,1,5-6,9-10H2,2H3,(H2,15,16).
What are the key properties of N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide?
N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide has a molecular weight of 229.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 13258794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).