N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide

C12H26N4O — CID 104882669

IUPACN-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C12H26N4O/c1-3-11-7-5-9-16(11)12(15-13)14-8-6-10-17-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyMUDPWWUGUKACBH-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.11
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide (PubChem CID 104882669) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide
PubChem CID104882669
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C12H26N4O/c1-3-11-7-5-9-16(11)12(15-13)14-8-6-10-17-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyMUDPWWUGUKACBH-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542273
N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide
CID 104881917
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882510
N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide
CID 104882593
N-amino-2-[(dimethylamino)methyl]-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 104882597
N-amino-2-[(dimethylamino)methyl]-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 104882601
N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104882667
N-amino-N'-butyl-2-ethylpyrrolidine-1-carboximidamide
CID 104882668
N-amino-N',2-diethylpyrrolidine-1-carboximidamide
CID 104882670
N-amino-2-ethyl-N'-propylpyrrolidine-1-carboximidamide
CID 104882671

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide (CID 104882669) is N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCCC1CC.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide?
The InChIKey is MUDPWWUGUKACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-11-7-5-9-16(11)12(15-13)14-8-6-10-17-4-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-2-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).