2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide

C9H20N4O — CID 178003632

IUPAC2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(OC)CC1CN(C)C
InChIInChI=1S/C9H20N4O/c1-12(2)5-7-4-8(14-3)6-13(7)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11)
InChIKeyPXQFYFUCZAKESY-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.47
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide

2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide (PubChem CID 178003632) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
PubChem CID178003632
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(OC)CC1CN(C)C
InChIInChI=1S/C9H20N4O/c1-12(2)5-7-4-8(14-3)6-13(7)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11)
InChIKeyPXQFYFUCZAKESY-UHFFFAOYSA-N
XLogP-0.47
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(4-Methoxypyrrolidin-2-yl)methyl]-1-methylguanidine
CID 171561590
4-Methoxy-2-(methylaminomethyl)pyrrolidine-1-carboximidamide
CID 171561712
2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 66053189
2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 66053382
2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 66053383
2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053385
2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 66053576
N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 104881894
1,1-Diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 111098278
1,1-Diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111098279

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide (CID 178003632) is 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC(OC)CC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide?
The InChIKey is PXQFYFUCZAKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-12(2)5-7-4-8(14-3)6-13(7)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11).
What are the key properties of 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide?
2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide has a molecular weight of 200.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 178003632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).