N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide

C17H31N3O2 — CID 91943166

IUPACN'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide
SMILESCC=CCCN/C(=N\C)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16/h3-4,15-16H,5-14H2,1-2H3,(H,18,19)
InChIKeyRBKPRFULUVGXGE-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.19
Rot. Bonds6

About N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide

N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide (PubChem CID 91943166) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide
PubChem CID91943166
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide
SMILESCC=CCCN/C(=N\C)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16/h3-4,15-16H,5-14H2,1-2H3,(H,18,19)
InChIKeyRBKPRFULUVGXGE-UHFFFAOYSA-N
XLogP2.19
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide (CID 91943166) is N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide is CC=CCCN/C(=N\C)N1CCC(OCC2CCCO2)CC1.
What is the InChIKey of N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide?
The InChIKey is RBKPRFULUVGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16/h3-4,15-16H,5-14H2,1-2H3,(H,18,19).
What are the key properties of N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide?
N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide has a molecular weight of 309.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide is sourced from PubChem (CID 91943166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).