(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C7H16N4O — CID 142498001

IUPAC(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC[C@H]1CO
InChIInChI=1S/C7H16N4O/c1-9-7(10-8)11-4-2-3-6(11)5-12/h6,12H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyCPHDYIBFJABKFE-LURJTMIESA-N
MW172.23 g/mol
LogP-1.11
Rot. Bonds1

About (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide

(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 142498001) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID142498001
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC[C@H]1CO
InChIInChI=1S/C7H16N4O/c1-9-7(10-8)11-4-2-3-6(11)5-12/h6,12H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyCPHDYIBFJABKFE-LURJTMIESA-N
XLogP-1.11
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 104882320
N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 104887115
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 104887116
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 104887120
N-amino-N'-butyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 113531087
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium iodide
CID 133633620
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium
CID 133633621

Frequently Asked Questions

What is the IUPAC name of (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 142498001) is (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is CPHDYIBFJABKFE-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N4O/c1-9-7(10-8)11-4-2-3-6(11)5-12/h6,12H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 142498001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).