4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine

C11H21N3 — CID 174094301

IUPAC4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine
SMILESC/N=C(\C=C(C)N)[C@H]1CC[C@H](C)CN1
InChIInChI=1S/C11H21N3/c1-8-4-5-10(14-7-8)11(13-3)6-9(2)12/h6,8,10,14H,4-5,7,12H2,1-3H3/b9-6?,13-11+/t8-,10+/m0/s1
InChIKeyJMWIVTFYOQWEJW-RZOAGQGKSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds2

About 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine

4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine (PubChem CID 174094301) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine.

Molecular Properties

Compound Name4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine
PubChem CID174094301
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine
SMILESC/N=C(\C=C(C)N)[C@H]1CC[C@H](C)CN1
InChIInChI=1S/C11H21N3/c1-8-4-5-10(14-7-8)11(13-3)6-9(2)12/h6,8,10,14H,4-5,7,12H2,1-3H3/b9-6?,13-11+/t8-,10+/m0/s1
InChIKeyJMWIVTFYOQWEJW-RZOAGQGKSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine?
The IUPAC name of 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine (CID 174094301) is 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine.
What is the SMILES notation for 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine?
The canonical SMILES for 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine is C/N=C(\C=C(C)N)[C@H]1CC[C@H](C)CN1.
What is the InChIKey of 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine?
The InChIKey is JMWIVTFYOQWEJW-RZOAGQGKSA-N. The full InChI is InChI=1S/C11H21N3/c1-8-4-5-10(14-7-8)11(13-3)6-9(2)12/h6,8,10,14H,4-5,7,12H2,1-3H3/b9-6?,13-11+/t8-,10+/m0/s1.
What are the key properties of 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine?
4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimino-4-[(2R,5S)-5-methylpiperidin-2-yl]but-2-en-2-amine is sourced from PubChem (CID 174094301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).