N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide

C9H21N5O — CID 104882320

IUPACN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C9H21N5O/c1-11-9(12-10)14-6-8(15)4-7(14)5-13(2)3/h7-8,15H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyLRGQSPPEPLEGJA-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.57
Rot. Bonds2

About N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide

N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 104882320) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID104882320
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C9H21N5O/c1-11-9(12-10)14-6-8(15)4-7(14)5-13(2)3/h7-8,15H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyLRGQSPPEPLEGJA-UHFFFAOYSA-N
XLogP-1.57
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498001
2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 66053189
N'-tert-butyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053190
2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 66053382
2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 66053383
N'-cyclopropyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053384
2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053385
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 66053576
N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 104881894
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113
N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)-4-hydroxypyrrolidine-1-carboximidamide
CID 104887114

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide (CID 104882320) is N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CC(O)CC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is LRGQSPPEPLEGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-11-9(12-10)14-6-8(15)4-7(14)5-13(2)3/h7-8,15H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 215.30 g/mol, XLogP of -1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).