2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide

C15H31N3O — CID 65258325

IUPAC2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(OCCC)C1
InChIInChI=1S/C15H31N3O/c1-4-11-19-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyCWHMVVVGDAWWSZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.62
Rot. Bonds8

About 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide

2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide (PubChem CID 65258325) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
PubChem CID65258325
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(OCCC)C1
InChIInChI=1S/C15H31N3O/c1-4-11-19-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyCWHMVVVGDAWWSZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide (CID 65258325) is 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCC(OCCC)C1.
What is the InChIKey of 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The InChIKey is CWHMVVVGDAWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-11-19-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 65258325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).