N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide

C11H24N4O — CID 104885913

IUPACN-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC1(C)C
InChIInChI=1S/C11H24N4O/c1-11(2)6-4-8-15(11)10(14-12)13-7-5-9-16-3/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyGYXVVIIOTOHCKN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.72
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide

N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide (PubChem CID 104885913) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide
PubChem CID104885913
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC1(C)C
InChIInChI=1S/C11H24N4O/c1-11(2)6-4-8-15(11)10(14-12)13-7-5-9-16-3/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyGYXVVIIOTOHCKN-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide
CID 104885911
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-N'-(3-methoxypropyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
CID 104885426
N-amino-2-ethyl-N'-(3-methoxypropyl)azepane-1-carboximidamide
CID 104888677
N-amino-N'-(3-methoxypropyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887576
N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide
CID 104883871
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
N-amino-N'-(2-methoxyethyl)-4-methyl-3-oxo-1,4-diazepane-1-carboximidamide
CID 102888038
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
CID 104887299
N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 104888422
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide (CID 104885913) is N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide is COCCC/N=C(\NN)N1CCCC1(C)C.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is GYXVVIIOTOHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-11(2)6-4-8-15(11)10(14-12)13-7-5-9-16-3/h4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide?
N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104885913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).