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

C9H21N5 — CID 104881911

IUPACN-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C9H21N5/c1-11-9(12-10)14-6-4-5-8(14)7-13(2)3/h8H,4-7,10H2,1-3H3,(H,11,12)
InChIKeyXOXLUPRXFKGIPG-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.54
Rot. Bonds2

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

N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 104881911) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID104881911
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC NameN-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C9H21N5/c1-11-9(12-10)14-6-4-5-8(14)7-13(2)3/h8H,4-7,10H2,1-3H3,(H,11,12)
InChIKeyXOXLUPRXFKGIPG-UHFFFAOYSA-N
XLogP-0.54
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
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

N-amino-N'-ethylpyrrolidine-1-carboximidamide
CID 22977259
2-[(dimethylamino)methyl]-N'-ethylpyrrolidine-1-carboximidamide
CID 62889863
2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
CID 62890037
2-[(dimethylamino)methyl]-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 62890038
2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 62890204
1-Amino-2-(1-pyrrolidin-1-ylpropan-2-yl)guanidine
CID 64866890
1-Amino-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 64867295
N'-amino-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
CID 64875018
N'-amino-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
CID 77058519
1-[(1-Ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
CID 79318580
2-Ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
CID 79318680
1-[(1-Ethylpyrrolidin-2-yl)methyl]-1-methyl-2-propan-2-ylguanidine
CID 79318871

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide (CID 104881911) is N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CCCC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is XOXLUPRXFKGIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-11-9(12-10)14-6-4-5-8(14)7-13(2)3/h8H,4-7,10H2,1-3H3,(H,11,12).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104881911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).