N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide

C12H26N4O — CID 104883210

IUPACN-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N4O/c1-10-7-11(2)9-16(8-10)12(15-13)14-5-4-6-17-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyAYGBJWOUTWEZPT-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.82
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide

N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 104883210) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID104883210
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N4O/c1-10-7-11(2)9-16(8-10)12(15-13)14-5-4-6-17-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyAYGBJWOUTWEZPT-UHFFFAOYSA-N
XLogP0.82
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide (CID 104883210) is N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide is COCCC/N=C(\NN)N1CC(C)CC(C)C1.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is AYGBJWOUTWEZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10-7-11(2)9-16(8-10)12(15-13)14-5-4-6-17-3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide?
N-amino-N'-(3-methoxypropyl)-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 0.82, 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)-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 104883210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).