(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide

C13H25N3 — CID 163795388

IUPAC(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide
SMILESC=C/N=C(\N)[C@@](C)(CC)CN1CCCCC1
InChIInChI=1S/C13H25N3/c1-4-13(3,12(14)15-5-2)11-16-9-7-6-8-10-16/h5H,2,4,6-11H2,1,3H3,(H2,14,15)/t13-/m0/s1
InChIKeyNAHYTXGZGQMYOB-ZDUSSCGKSA-N
MW223.36 g/mol
LogP2.39
Rot. Bonds5

About (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide

(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide (PubChem CID 163795388) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide.

Molecular Properties

Compound Name(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide
PubChem CID163795388
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide
SMILESC=C/N=C(\N)[C@@](C)(CC)CN1CCCCC1
InChIInChI=1S/C13H25N3/c1-4-13(3,12(14)15-5-2)11-16-9-7-6-8-10-16/h5H,2,4,6-11H2,1,3H3,(H2,14,15)/t13-/m0/s1
InChIKeyNAHYTXGZGQMYOB-ZDUSSCGKSA-N
XLogP2.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide?
The IUPAC name of (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide (CID 163795388) is (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide.
What is the SMILES notation for (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide?
The canonical SMILES for (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide is C=C/N=C(\N)[C@@](C)(CC)CN1CCCCC1.
What is the InChIKey of (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide?
The InChIKey is NAHYTXGZGQMYOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(3,12(14)15-5-2)11-16-9-7-6-8-10-16/h5H,2,4,6-11H2,1,3H3,(H2,14,15)/t13-/m0/s1.
What are the key properties of (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide?
(2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-ethenyl-2-methyl-2-(piperidin-1-ylmethyl)butanimidamide is sourced from PubChem (CID 163795388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).