N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide

C11H23N3O — CID 91642294

IUPACN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyDNZUDXJUGRWMCN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds4

About N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide

N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 91642294) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide
PubChem CID91642294
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide
SMILESCOCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyDNZUDXJUGRWMCN-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide (CID 91642294) is N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide is COCCC/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is DNZUDXJUGRWMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide?
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 91642294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).