N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide

C11H25N5O — CID 104887299

IUPACN-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(N(C)C)C1
InChIInChI=1S/C11H25N5O/c1-15(2)10-5-4-7-16(9-10)11(14-12)13-6-8-17-3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyGNKLTELFYQGTIA-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.52
Rot. Bonds4

About N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide

N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide (PubChem CID 104887299) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
PubChem CID104887299
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC NameN-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCCC(N(C)C)C1
InChIInChI=1S/C11H25N5O/c1-15(2)10-5-4-7-16(9-10)11(14-12)13-6-8-17-3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyGNKLTELFYQGTIA-UHFFFAOYSA-N
XLogP-0.52
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.52
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-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 104888422
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
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'-(2-methoxyethyl)-2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887804
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methylpiperidine-1-carboximidamide
CID 111145450
N-amino-N'-(2-methoxyethyl)-4-methyl-3-oxo-1,4-diazepane-1-carboximidamide
CID 102888038
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570

Frequently Asked Questions

What is the IUPAC name of N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide (CID 104887299) is N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide is COCC/N=C(\NN)N1CCCC(N(C)C)C1.
What is the InChIKey of N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
The InChIKey is GNKLTELFYQGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-15(2)10-5-4-7-16(9-10)11(14-12)13-6-8-17-3/h10H,4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide?
N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).