2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide

C14H22N4 — CID 62889862

IUPAC2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
SMILESCN(C)CC1CCCN1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H22N4/c1-17(2)11-13-9-6-10-18(13)14(15)16-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H2,15,16)
InChIKeyYUQOYBIUNROPDF-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide

2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide (PubChem CID 62889862) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
PubChem CID62889862
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
SMILESCN(C)CC1CCCN1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H22N4/c1-17(2)11-13-9-6-10-18(13)14(15)16-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H2,15,16)
InChIKeyYUQOYBIUNROPDF-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.66
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

(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
(4aR,8aR)-N'-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726813
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740437
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 62889291
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide (CID 62889862) is 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide is CN(C)CC1CCCN1/C(N)=N/c1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide?
The InChIKey is YUQOYBIUNROPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(2)11-13-9-6-10-18(13)14(15)16-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide?
2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62889862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).