N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide

C11H24N4O — CID 104882667

IUPACN-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(=N/C(C)COC)NN
InChIInChI=1S/C11H24N4O/c1-4-10-6-5-7-15(10)11(14-12)13-9(2)8-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyAYWVVCVRHVXAGU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.71
Rot. Bonds4

About N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide

N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 104882667) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
PubChem CID104882667
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(=N/C(C)COC)NN
InChIInChI=1S/C11H24N4O/c1-4-10-6-5-7-15(10)11(14-12)13-9(2)8-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyAYWVVCVRHVXAGU-UHFFFAOYSA-N
XLogP0.71
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542265
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
N-amino-N'-cyclohexyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103542275
N-amino-2-ethyl-N'-methylpyrrolidine-1-carboximidamide
CID 104881917
3-Amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
CID 104882133
3-Amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
CID 104882157

Frequently Asked Questions

What is the IUPAC name of N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide (CID 104882667) is N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide is CCC1CCCN1/C(=N/C(C)COC)NN.
What is the InChIKey of N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is AYWVVCVRHVXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-10-6-5-7-15(10)11(14-12)13-9(2)8-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide?
N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-ethyl-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).