N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide

C11H24N4O3 — CID 103542276

IUPACN-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N4O3/c1-16-6-4-5-13-11(14-12)15-7-9(17-2)10(8-15)18-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyDKPPBNFBQDKYHW-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.81
Rot. Bonds6

About N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide

N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide (PubChem CID 103542276) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
PubChem CID103542276
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC NameN-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N4O3/c1-16-6-4-5-13-11(14-12)15-7-9(17-2)10(8-15)18-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyDKPPBNFBQDKYHW-UHFFFAOYSA-N
XLogP-0.81
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3,4-dimethoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534606
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608
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-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
N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103542266

Frequently Asked Questions

What is the IUPAC name of N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide (CID 103542276) is N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide is COCCC/N=C(\NN)N1CC(OC)C(OC)C1.
What is the InChIKey of N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide?
The InChIKey is DKPPBNFBQDKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3/c1-16-6-4-5-13-11(14-12)15-7-9(17-2)10(8-15)18-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide?
N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).