N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide

C11H24N4O — CID 102972035

IUPACN-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CCCN(/C(=N/CC(C)C)NN)C1
InChIInChI=1S/C11H24N4O/c1-9(2)7-13-11(14-12)15-6-4-5-10(8-15)16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyPAZAFIXBGNYQBW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.57
Rot. Bonds3

About N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide

N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 102972035) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID102972035
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCOC1CCCN(/C(=N/CC(C)C)NN)C1
InChIInChI=1S/C11H24N4O/c1-9(2)7-13-11(14-12)15-6-4-5-10(8-15)16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyPAZAFIXBGNYQBW-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.57
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'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
CID 62362799
3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62363231
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 64868386
N'-amino-3-propoxypiperidine-1-carboximidamide
CID 77053958
N'-amino-3-ethoxypiperidine-1-carboximidamide
CID 77053959
3-methoxy-4-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 102963248
N'-amino-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963250
N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963252
3-methoxy-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 102963254
3-methoxy-N',4-dimethylpiperidine-1-carboximidamide
CID 102963257
N'-ethyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102963260
3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 102963273

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 102972035) is N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is COC1CCCN(/C(=N/CC(C)C)NN)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is PAZAFIXBGNYQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(2)7-13-11(14-12)15-6-4-5-10(8-15)16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102972035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).