N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide

C11H24N4O2 — CID 102972037

IUPACN-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-16-8-4-6-13-11(14-12)15-7-3-5-10(9-15)17-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyVGAFMHZCONYEKX-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.05
Rot. Bonds5

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

N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide (PubChem CID 102972037) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide
PubChem CID102972037
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-16-8-4-6-13-11(14-12)15-7-3-5-10(9-15)17-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyVGAFMHZCONYEKX-UHFFFAOYSA-N
XLogP-0.05
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.05
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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Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide (CID 102972037) is N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide is COCCC/N=C(\NN)N1CCCC(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
The InChIKey is VGAFMHZCONYEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-16-8-4-6-13-11(14-12)15-7-3-5-10(9-15)17-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide?
N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide has a molecular weight of 244.34 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-(3-methoxypropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102972037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).