(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine

C13H21N3 — CID 155322392

IUPAC(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine
SMILESC=CC1=C(/C=N/C)CC2(CCNCC2)[C@@H]1N
InChIInChI=1S/C13H21N3/c1-3-11-10(9-15-2)8-13(12(11)14)4-6-16-7-5-13/h3,9,12,16H,1,4-8,14H2,2H3/b15-9+/t12-/m1/s1
InChIKeyGFDWPPRBHANFGE-KMHUVPDISA-N
MW219.33 g/mol
LogP1.27
Rot. Bonds2

About (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine

(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine (PubChem CID 155322392) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine.

Molecular Properties

Compound Name(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine
PubChem CID155322392
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine
SMILESC=CC1=C(/C=N/C)CC2(CCNCC2)[C@@H]1N
InChIInChI=1S/C13H21N3/c1-3-11-10(9-15-2)8-13(12(11)14)4-6-16-7-5-13/h3,9,12,16H,1,4-8,14H2,2H3/b15-9+/t12-/m1/s1
InChIKeyGFDWPPRBHANFGE-KMHUVPDISA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.27
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 (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine?
The IUPAC name of (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine (CID 155322392) is (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine.
What is the SMILES notation for (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine?
The canonical SMILES for (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine is C=CC1=C(/C=N/C)CC2(CCNCC2)[C@@H]1N.
What is the InChIKey of (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine?
The InChIKey is GFDWPPRBHANFGE-KMHUVPDISA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11-10(9-15-2)8-13(12(11)14)4-6-16-7-5-13/h3,9,12,16H,1,4-8,14H2,2H3/b15-9+/t12-/m1/s1.
What are the key properties of (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine?
(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine has a molecular weight of 219.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine is sourced from PubChem (CID 155322392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).