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

C8H19N5O — CID 104881894

IUPACN'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1C(N)=NN
InChIInChI=1S/C8H19N5O/c1-12(2)4-6-3-7(14)5-13(6)8(9)11-10/h6-7,14H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyIXGRYCIUYVOSFX-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.83
Rot. Bonds2

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

N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (PubChem CID 104881894) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
PubChem CID104881894
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC NameN'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1C(N)=NN
InChIInChI=1S/C8H19N5O/c1-12(2)4-6-3-7(14)5-13(6)8(9)11-10/h6-7,14H,3-5,10H2,1-2H3,(H2,9,11)
InChIKeyIXGRYCIUYVOSFX-UHFFFAOYSA-N
XLogP-1.83
TPSA91.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.83
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

2-[(Dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
CID 178003632
2-[(dimethylamino)methyl]-N',4-dihydroxypyrrolidine-1-carboximidamide
CID 66052226
5-[(Dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol
CID 66052816
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
2-[(dimethylamino)methyl]-N',4-dihydroxypyrrolidine-1-carboximidamide
CID 77111573

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (CID 104881894) is N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide is CN(C)CC1CC(O)CN1C(N)=NN.
What is the InChIKey of N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is IXGRYCIUYVOSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-12(2)4-6-3-7(14)5-13(6)8(9)11-10/h6-7,14H,3-5,10H2,1-2H3,(H2,9,11).
What are the key properties of N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of -1.83, 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-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 104881894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).