N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

C10H22N4O2 — CID 103542277

IUPACN-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(=N\C(C)C)NN)CC1OC
InChIInChI=1S/C10H22N4O2/c1-7(2)12-10(13-11)14-5-8(15-3)9(6-14)16-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyZHZOXVQBRZCKJF-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.44
Rot. Bonds3

About N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 103542277) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID103542277
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(=N\C(C)C)NN)CC1OC
InChIInChI=1S/C10H22N4O2/c1-7(2)12-10(13-11)14-5-8(15-3)9(6-14)16-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyZHZOXVQBRZCKJF-UHFFFAOYSA-N
XLogP-0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
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

3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608
N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534609
N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534612
3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534613
N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534614
N-amino-3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103542261
N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542265

Frequently Asked Questions

What is the IUPAC name of N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 103542277) is N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is COC1CN(/C(=N\C(C)C)NN)CC1OC.
What is the InChIKey of N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is ZHZOXVQBRZCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-7(2)12-10(13-11)14-5-8(15-3)9(6-14)16-4/h7-9H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 230.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).