N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide

C11H24N4O2 — CID 103542269

IUPACN-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-3-17-8-4-6-13-11(14-12)15-7-5-10(9-15)16-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyQBDLUJVMBSGWQK-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.05
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103542269) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103542269
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-3-17-8-4-6-13-11(14-12)15-7-5-10(9-15)16-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyQBDLUJVMBSGWQK-UHFFFAOYSA-N
XLogP-0.05
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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
N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103542266
N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 103542267
N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542268
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 103542270
N-amino-N'-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542271
N-amino-N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542272
N-amino-N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542273

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide (CID 103542269) is N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(OC)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is QBDLUJVMBSGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-3-17-8-4-6-13-11(14-12)15-7-5-10(9-15)16-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 244.34 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).